 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer07_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-54706.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     54707.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer07_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:57:08 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Thu Aug 12 19:57:08 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0645686027 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1402625136 Hartrees.
 Leave Link  301 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:              10.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.12D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.39D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:57:11 2021, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.760677897828    
 DIIS: error= 1.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.760677897828     IErMin= 1 ErrMin= 1.62D-03
 ErrMax= 1.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-03 BMatP= 7.72D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.161 Goal=   None    Shift=    0.000
 GapD=    0.161 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.67D-02 MaxDP=9.40D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.39D-02    CP:  1.54D+00
 E= -767.766986260344     Delta-E=       -0.006308362516 Rises=F Damp=F
 DIIS: error= 4.14D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.766986260344     IErMin= 2 ErrMin= 4.14D-04
 ErrMax= 4.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-04 BMatP= 7.72D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.14D-03
 Coeff-Com:  0.286D-01 0.971D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.285D-01 0.972D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=2.98D-03 MaxDP=3.42D-01 DE=-6.31D-03 OVMax= 5.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.20D-04    CP:  1.55D+00  1.04D+00
 E= -767.766709440365     Delta-E=        0.000276819979 Rises=F Damp=F
 DIIS: error= 6.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.766986260344     IErMin= 2 ErrMin= 4.14D-04
 ErrMax= 6.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.08D-04 BMatP= 2.29D-04
 IDIUse=3 WtCom= 2.85D-01 WtEn= 7.15D-01
 Coeff-Com: -0.927D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.264D-02 0.671D+00 0.331D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=2.54D-04 MaxDP=1.49D-02 DE= 2.77D-04 OVMax= 3.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.67D-04    CP:  1.55D+00  1.04D+00  9.76D-01
 E= -767.767159071106     Delta-E=       -0.000449630742 Rises=F Damp=F
 DIIS: error= 6.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.767159071106     IErMin= 4 ErrMin= 6.76D-05
 ErrMax= 6.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-06 BMatP= 2.29D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.599D-02 0.300D+00 0.134D+00 0.572D+00
 Coeff:     -0.599D-02 0.300D+00 0.134D+00 0.572D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=8.54D-03 DE=-4.50D-04 OVMax= 7.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.33D-05    CP:  1.55D+00  1.04D+00  9.71D-01  1.15D+00
 E= -767.767165556325     Delta-E=       -0.000006485218 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.767165556325     IErMin= 5 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-06 BMatP= 9.29D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.213D-02 0.679D-01 0.133D-01 0.374D+00 0.547D+00
 Coeff:     -0.213D-02 0.679D-01 0.133D-01 0.374D+00 0.547D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=3.47D-05 MaxDP=2.14D-03 DE=-6.49D-06 OVMax= 4.43D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.55D+00  1.04D+00  9.73D-01  1.16D+00  9.96D-01
 E= -767.767166920130     Delta-E=       -0.000001363805 Rises=F Damp=F
 DIIS: error= 7.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.767166920130     IErMin= 6 ErrMin= 7.72D-06
 ErrMax= 7.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-07 BMatP= 1.81D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.625D-03 0.102D-01-0.444D-02 0.164D+00 0.319D+00 0.512D+00
 Coeff:     -0.625D-03 0.102D-01-0.444D-02 0.164D+00 0.319D+00 0.512D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=7.64D-06 MaxDP=4.88D-04 DE=-1.36D-06 OVMax= 9.77D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.38D-06    CP:  1.55D+00  1.04D+00  9.75D-01  1.16D+00  9.48D-01
                    CP:  9.63D-01
 E= -767.767167067012     Delta-E=       -0.000000146882 Rises=F Damp=F
 DIIS: error= 2.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.767167067012     IErMin= 7 ErrMin= 2.00D-06
 ErrMax= 2.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-09 BMatP= 1.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.889D-04-0.136D-02-0.294D-02 0.431D-01 0.966D-01 0.231D+00
 Coeff-Com:  0.634D+00
 Coeff:     -0.889D-04-0.136D-02-0.294D-02 0.431D-01 0.966D-01 0.231D+00
 Coeff:      0.634D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=3.20D-06 MaxDP=1.89D-04 DE=-1.47D-07 OVMax= 3.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.81D-06    CP:  1.55D+00  1.04D+00  9.76D-01  1.16D+00  9.49D-01
                    CP:  9.41D-01  9.02D-01
 E= -767.767167071695     Delta-E=       -0.000000004683 Rises=F Damp=F
 DIIS: error= 7.84D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.767167071695     IErMin= 8 ErrMin= 7.84D-07
 ErrMax= 7.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-09 BMatP= 6.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-06-0.165D-02-0.121D-02 0.999D-02 0.262D-01 0.886D-01
 Coeff-Com:  0.391D+00 0.487D+00
 Coeff:      0.148D-06-0.165D-02-0.121D-02 0.999D-02 0.262D-01 0.886D-01
 Coeff:      0.391D+00 0.487D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=7.53D-07 MaxDP=3.70D-05 DE=-4.68D-09 OVMax= 1.47D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.00D-07    CP:  1.55D+00  1.04D+00  9.77D-01  1.16D+00  9.52D-01
                    CP:  9.37D-01  9.13D-01  8.94D-01
 E= -767.767167073288     Delta-E=       -0.000000001593 Rises=F Damp=F
 DIIS: error= 1.91D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.767167073288     IErMin= 9 ErrMin= 1.91D-07
 ErrMax= 1.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-11 BMatP= 1.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.700D-05-0.685D-03-0.335D-03 0.138D-02 0.482D-02 0.248D-01
 Coeff-Com:  0.139D+00 0.247D+00 0.584D+00
 Coeff:      0.700D-05-0.685D-03-0.335D-03 0.138D-02 0.482D-02 0.248D-01
 Coeff:      0.139D+00 0.247D+00 0.584D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=2.63D-07 MaxDP=1.93D-05 DE=-1.59D-09 OVMax= 4.02D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  1.55D+00  1.04D+00  9.77D-01  1.16D+00  9.51D-01
                    CP:  9.37D-01  9.13D-01  9.02D-01  9.52D-01
 E= -767.767167073268     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 8.41D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -767.767167073288     IErMin=10 ErrMin= 8.41D-08
 ErrMax= 8.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-11 BMatP= 9.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.478D-05-0.225D-03-0.530D-04-0.406D-03-0.306D-03 0.449D-02
 Coeff-Com:  0.370D-01 0.917D-01 0.349D+00 0.519D+00
 Coeff:      0.478D-05-0.225D-03-0.530D-04-0.406D-03-0.306D-03 0.449D-02
 Coeff:      0.370D-01 0.917D-01 0.349D+00 0.519D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=7.68D-06 DE= 1.98D-11 OVMax= 1.43D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.27D-08    CP:  1.55D+00  1.04D+00  9.77D-01  1.16D+00  9.52D-01
                    CP:  9.38D-01  9.14D-01  9.13D-01  9.60D-01  8.00D-01
 E= -767.767167073169     Delta-E=        0.000000000100 Rises=F Damp=F
 DIIS: error= 1.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -767.767167073288     IErMin=11 ErrMin= 1.84D-08
 ErrMax= 1.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.91D-13 BMatP= 1.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-05-0.631D-04-0.411D-05-0.250D-03-0.390D-03 0.729D-03
 Coeff-Com:  0.866D-02 0.277D-01 0.121D+00 0.239D+00 0.604D+00
 Coeff:      0.175D-05-0.631D-04-0.411D-05-0.250D-03-0.390D-03 0.729D-03
 Coeff:      0.866D-02 0.277D-01 0.121D+00 0.239D+00 0.604D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=1.19D-06 DE= 9.96D-11 OVMax= 2.68D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.55D+00  1.04D+00  9.77D-01  1.16D+00  9.52D-01
                    CP:  9.38D-01  9.14D-01  9.18D-01  9.59D-01  8.18D-01
                    CP:  9.24D-01
 E= -767.767167073235     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 7.44D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -767.767167073288     IErMin=12 ErrMin= 7.44D-09
 ErrMax= 7.44D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-13 BMatP= 6.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.278D-06-0.166D-05 0.679D-05-0.955D-04-0.217D-03-0.334D-03
 Coeff-Com: -0.940D-03 0.203D-02 0.177D-01 0.571D-01 0.339D+00 0.585D+00
 Coeff:      0.278D-06-0.166D-05 0.679D-05-0.955D-04-0.217D-03-0.334D-03
 Coeff:     -0.940D-03 0.203D-02 0.177D-01 0.571D-01 0.339D+00 0.585D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=8.58D-09 MaxDP=4.84D-07 DE=-6.68D-11 OVMax= 8.41D-08

 SCF Done:  E(RB3LYP) =  -767.767167073     A.U. after   12 cycles
            NFock= 12  Conv=0.86D-08     -V/T= 2.0057
 KE= 7.634320738962D+02 PE=-4.056196682494D+03 EE= 1.390857179011D+03
 Leave Link  502 at Thu Aug 12 20:04:00 2021, MaxMem=  5368709120 cpu:            3259.7 elap:             408.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.11739367D+03

 Leave Link  801 at Thu Aug 12 20:04:00 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 6.66D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 4.84D-01 1.61D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 1.12D-01 1.25D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 2.54D-02 3.96D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 7.27D-03 2.01D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 4.51D-04 3.86D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.86D-05 5.77D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 6.79D-07 1.11D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 1.51D-08 1.56D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 2.88D-10 1.74D-06.
      8 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 6.94D-12 2.93D-07.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 2.11D-13 3.91D-08.
      5 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 5.85D-14 1.75D-08.
      2 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 5.67D-14 1.28D-08.
      1 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 2.42D-14 9.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.323267D+03
      2  0.153636D+02  0.178039D+03
      3 -0.164458D+02 -0.562464D+01  0.121624D+03
 Isotropic polarizability for W=    0.088559      207.64 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.357394D+03 -0.483720D+02  0.942646D+02
      2   0.168712D+03  0.251206D+02 -0.490023D+02
      3   0.188683D+03  0.232514D+02 -0.452623D+02
      4  -0.622064D+02 -0.123371D+03  0.421198D+02
      5   0.265082D+02  0.460720D+02  0.363155D+02
      6   0.126765D+02 -0.727705D+02 -0.356609D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.116667D+02 -0.302739D+02  0.130006D+02
      2   0.856575D+02  0.177868D+02  0.142711D+02
      3   0.477848D+02  0.564414D+02 -0.217747D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.395221D+01 -0.237683D+02  0.589123D+02
      2   0.677564D+02  0.294433D+02 -0.152367D+03
      3  -0.138344D+02  0.292083D+03 -0.333955D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.100594D+01 -0.834738D+01 -0.956161D+01
      2  -0.834738D+01  0.230677D+01 -0.213713D+00
      3  -0.956161D+01 -0.213713D+00  0.637784D+01
 OR G Eigenvalues:   -11.3845     4.1466    14.9166  Iso=    -2.5596
 Eigenvectors:
   (1)   0.771514   0.476952   0.421050
   (2)  -0.157526   0.784408  -0.599909
   (3)  -0.616403   0.396511   0.680313
 w=    0.088559 a.u., Optical Rotation Beta=     -2.5596 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -563.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.20D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.48D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 4.61D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 1.28D-01 1.40D-01.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 3.73D-03 1.98D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.42D-04 1.39D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 3.75D-06 2.50D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 3.95D-08 1.90D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.09D-10 1.61D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 1.83D-12 1.76D-07.
     10 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 2.51D-14 1.32D-08.
      5 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 8.64D-15 7.33D-09.
      5 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 2.73D-14 1.10D-08.
      5 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 1.25D-12 7.29D-08.
      2 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 1.81D-13 2.53D-08.
      1 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 8.41D-15 4.55D-09.
      1 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 2.27D-15 3.00D-09.
      1 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 2.21D-15 4.11D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.71D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.71D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.323267D+03  0.153636D+02 -0.164458D+02
      2   0.153636D+02  0.178039D+03 -0.562464D+01
      3  -0.164458D+02 -0.562464D+01  0.121624D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116667D+02 -0.302739D+02  0.130006D+02
      2   0.856575D+02  0.177868D+02  0.142711D+02
      3   0.477848D+02  0.564414D+02 -0.217747D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.357394D+03 -0.483720D+02  0.942646D+02
      2   0.168712D+03  0.251206D+02 -0.490023D+02
      3   0.188683D+03  0.232514D+02 -0.452623D+02
      4  -0.622064D+02 -0.123371D+03  0.421198D+02
      5   0.265082D+02  0.460720D+02  0.363155D+02
      6   0.126765D+02 -0.727705D+02 -0.356609D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443133D+02  0.955173D+01 -0.380930D+01 -0.447114D+02 -0.538972D+01
      2   0.955173D+01  0.501890D+01 -0.173919D+01 -0.538972D+01 -0.531585D+01
      3  -0.380930D+01 -0.173919D+01 -0.127365D-02  0.476321D+01  0.971120D+00
                 6             7             8             9            10 
      1   0.476321D+01  0.709727D+00 -0.520538D+00  0.126762D+01 -0.366186D+02
      2   0.971120D+00 -0.520538D+00 -0.209323D+00 -0.971365D+00 -0.902707D+01
      3  -0.200184D+00  0.126762D+01 -0.971365D+00  0.161958D+00  0.316249D+01
                11            12            13            14            15 
      1  -0.902707D+01  0.316249D+01  0.487962D+02  0.629942D+01 -0.541514D+01
      2  -0.116508D+01  0.704157D+00  0.629942D+01  0.704065D+01 -0.161373D+01
      3   0.704157D+00 -0.182573D+00 -0.541514D+01 -0.161373D+01  0.727122D-01
                16            17            18            19            20 
      1  -0.371866D+00  0.539052D+00 -0.496590D+00 -0.539132D+02 -0.110360D+02
      2   0.539052D+00 -0.330190D+00  0.110200D+01 -0.110360D+02 -0.990886D+01
      3  -0.496590D+00  0.110200D+01 -0.293108D+00  0.369465D+01  0.172287D+01
                21            22            23            24            25 
      1   0.369465D+01 -0.228738D+02 -0.269649D+01  0.150635D+00  0.934295D+01
      2   0.172287D+01 -0.269649D+01 -0.628383D+01  0.585683D+00  0.437469D+00
      3  -0.649727D+00  0.150635D+00  0.585683D+00 -0.232078D+01  0.681050D+00
                26            27            28            29            30 
      1   0.437469D+00  0.681050D+00  0.617425D+02  0.602234D+01 -0.595295D+00
      2   0.122627D+01 -0.390326D+01  0.602234D+01  0.511731D+01 -0.754971D+00
      3  -0.390326D+01  0.589724D+00 -0.595295D+00 -0.754971D+00  0.230557D+01
                31            32            33            34            35 
      1   0.716304D+01  0.336643D+01  0.834847D-01 -0.537787D+01 -0.516848D+00
      2   0.336643D+01  0.165385D+02 -0.292116D+01 -0.516848D+00 -0.303982D+01
      3   0.834847D-01 -0.292116D+01  0.382879D+00  0.645623D+01  0.122826D+01
                36            37            38            39            40 
      1   0.645623D+01  0.584222D+01 -0.124228D+01 -0.269206D+00  0.119845D+02
      2   0.122826D+01 -0.124228D+01  0.146806D+02 -0.159043D+01  0.899664D+00
      3  -0.149183D+01 -0.269206D+00 -0.159043D+01  0.258340D+01  0.401505D+00
                41            42            43            44            45 
      1   0.899664D+00  0.401505D+00 -0.121644D+01  0.127918D+01  0.477620D+01
      2  -0.895112D+01  0.165628D+01  0.127918D+01 -0.641530D+00  0.229506D+01
      3   0.165628D+01  0.750039D+00  0.477620D+01  0.229506D+01 -0.263288D+01
                46            47            48            49            50 
      1  -0.978787D+01  0.216803D+01  0.156167D+01  0.263718D+01  0.394294D+01
      2   0.216803D+01 -0.102629D+02  0.216605D+01  0.394294D+01  0.101071D+01
      3   0.156167D+01  0.216605D+01 -0.237086D+01 -0.448720D+00  0.235460D+00
                51            52            53            54            55 
      1  -0.448720D+00  0.627943D+00 -0.145659D+00 -0.111953D+01  0.171153D+01
      2   0.235460D+00 -0.145659D+00  0.220984D+01  0.445498D+01 -0.269929D+01
      3   0.185716D+01 -0.111953D+01  0.445498D+01 -0.106331D+01 -0.148920D+00
                56            57            58            59            60 
      1  -0.269929D+01 -0.148920D+00 -0.399516D+01 -0.460770D+01  0.381849D+00
      2   0.600088D+01 -0.366787D+00 -0.460770D+01 -0.262568D+01  0.837797D-01
      3  -0.366787D+00  0.243227D+01  0.381849D+00  0.837797D-01 -0.172856D+01
                61            62            63            64            65 
      1   0.109384D+00  0.352145D+00  0.148018D+00  0.993698D+00 -0.216452D+01
      2   0.352145D+00 -0.146535D+01 -0.432098D+01 -0.216452D+01  0.947068D+00
      3   0.148018D+00 -0.432098D+01  0.461225D+00 -0.178220D+00  0.246595D+00
                66            67            68            69            70 
      1  -0.178220D+00 -0.283954D+01  0.305836D+01  0.103987D+00 -0.558970D+00
      2   0.246595D+00  0.305836D+01 -0.654490D+01 -0.785418D-01  0.165888D+00
      3   0.471951D-01  0.103987D+00 -0.785418D-01 -0.580099D+00 -0.129324D+00
                71            72            73            74            75 
      1   0.165888D+00 -0.129324D+00  0.624892D+01  0.351608D+01 -0.113709D+01
      2   0.393990D+00 -0.904704D-01  0.351608D+01  0.340508D+01 -0.804743D+00
      3  -0.904704D-01 -0.104121D-03 -0.113709D+01 -0.804743D+00  0.618489D+00
                76            77            78            79            80 
      1   0.418359D+01  0.456519D+01 -0.102037D+01 -0.139409D+01 -0.951584D+00
      2   0.456519D+01  0.540970D+01 -0.113494D+01 -0.951584D+00 -0.905823D+00
      3  -0.102037D+01 -0.113494D+01  0.878030D+00 -0.199934D+00  0.557661D+00
                81            82            83            84            85 
      1  -0.199934D+00 -0.843020D+00  0.161575D+01 -0.102811D+00  0.629431D+00
      2   0.557661D+00  0.161575D+01 -0.241869D+01  0.123145D+00 -0.141585D+01
      3  -0.154315D+00 -0.102811D+00  0.123145D+00 -0.140739D+00  0.229460D+00
                86            87            88            89            90 
      1  -0.141585D+01  0.229460D+00 -0.127958D+00 -0.114078D+00  0.109185D+00
      2   0.111900D+02 -0.115484D+01 -0.114078D+00 -0.999728D+00  0.230093D+00
      3  -0.115484D+01  0.931036D+00  0.109185D+00  0.230093D+00 -0.134340D+00
                91            92            93            94            95 
      1  -0.303599D+02 -0.352013D+01 -0.215937D+01 -0.496265D+00 -0.234633D+01
      2  -0.352013D+01 -0.107991D+01 -0.390964D+00 -0.234633D+01  0.139067D+01
      3  -0.215937D+01 -0.390964D+00 -0.329092D+01  0.553062D+00  0.338479D+01
                96            97            98            99           100 
      1   0.553062D+00 -0.116815D+02 -0.105443D+01 -0.687366D+01 -0.722949D+01
      2   0.338479D+01 -0.105443D+01  0.216308D+01 -0.197625D+01  0.163083D+01
      3  -0.513783D+00 -0.687366D+01 -0.197625D+01 -0.879876D+00  0.190399D+01
               101           102           103           104           105 
      1   0.163083D+01  0.190399D+01 -0.249798D+01  0.239021D+01  0.721482D+00
      2   0.183578D+01  0.879542D+00  0.239021D+01 -0.166246D+01 -0.345474D+01
      3   0.879542D+00  0.373590D+01  0.721482D+00 -0.345474D+01  0.980260D+00
               106           107           108           109           110 
      1   0.253809D+01  0.953088D+00  0.240140D+01 -0.371251D+01 -0.132003D+01
      2   0.953088D+00 -0.257742D+01  0.266539D+01 -0.132003D+01 -0.436332D+00
      3   0.240140D+01  0.266539D+01  0.357774D+01 -0.636679D+00 -0.468483D+00
               111           112           113           114           115 
      1  -0.636679D+00 -0.228719D+01  0.876996D+00  0.102435D-01  0.192975D+02
      2  -0.468483D+00  0.876996D+00 -0.194766D+00 -0.227136D+00  0.935090D+00
      3   0.141632D+01  0.102435D-01 -0.227136D+00  0.538713D+00  0.718380D+01
               116           117           118           119           120 
      1   0.935090D+00  0.718380D+01  0.447583D+01  0.187720D+01 -0.170007D+01
      2   0.783900D+00  0.581987D+00  0.187720D+01  0.101112D+01 -0.554630D+00
      3   0.581987D+00  0.719930D+00 -0.170007D+01 -0.554630D+00  0.170195D+01
               121           122           123           124           125 
      1   0.669440D+01  0.183518D+01 -0.136231D+01 -0.223398D+01 -0.555507D+00
      2   0.183518D+01  0.251311D+01 -0.203491D+01 -0.555507D+00 -0.196643D+01
      3  -0.136231D+01 -0.203491D+01  0.185046D+01  0.277902D+01  0.169495D+01
               126           127           128           129           130 
      1   0.277902D+01 -0.783943D+00 -0.226883D+00 -0.120278D+01  0.722064D+00
      2   0.169495D+01 -0.226883D+00 -0.108043D+01 -0.105784D+01 -0.265100D+00
      3  -0.349780D+01 -0.120278D+01 -0.105784D+01 -0.274003D+01 -0.874601D-01
               131           132           133           134           135 
      1  -0.265100D+00 -0.874601D-01 -0.155810D+01  0.338378D+00 -0.303793D+00
      2  -0.111885D+01 -0.989176D+00  0.338378D+00 -0.190730D+01 -0.265017D+01
      3  -0.989176D+00 -0.131684D+01 -0.303793D+00 -0.265017D+01 -0.759304D+01
               136           137           138           139           140 
      1  -0.105383D+00 -0.359095D+00  0.423919D+00 -0.124390D+01  0.434269D+00
      2  -0.359095D+00 -0.985346D+00  0.247899D-01  0.434269D+00 -0.437770D+01
      3   0.423919D+00  0.247899D-01 -0.778032D+00  0.722209D-01  0.153571D+01
               141           142           143           144           145 
      1   0.722209D-01  0.127563D+01 -0.756656D+00 -0.289993D+00  0.130382D+02
      2   0.153571D+01 -0.756656D+00  0.295313D+01 -0.155830D+01 -0.337448D+01
      3  -0.163739D+01 -0.289993D+00 -0.155830D+01  0.168824D+01 -0.239276D+01
               146           147           148           149           150 
      1  -0.337448D+01 -0.239276D+01 -0.187150D+01  0.133614D+01  0.121247D+00
      2   0.188973D+01  0.809545D+00  0.133614D+01 -0.532361D+00 -0.856569D-02
      3   0.809545D+00  0.150363D+01  0.121247D+00 -0.856569D-02 -0.109276D+00
               151           152           153           154           155 
      1  -0.142206D+01  0.216882D+00  0.128744D+01  0.198781D+02  0.279112D+01
      2   0.216882D+00  0.624990D-01 -0.571990D+00  0.279112D+01  0.208439D+01
      3   0.128744D+01 -0.571990D+00 -0.993982D+00  0.176197D+01  0.743420D+00
               156           157           158           159           160 
      1   0.176197D+01  0.403174D+01  0.439955D+01  0.262178D+00  0.242738D+01
      2   0.743420D+00  0.439955D+01  0.203021D+01  0.548095D+00  0.607053D+00
      3   0.285013D+01  0.262178D+00  0.548095D+00  0.315333D+00  0.276777D+01
               161           162           163           164           165 
      1   0.607053D+00  0.276777D+01  0.177176D+02  0.583946D+00  0.576201D+01
      2  -0.288110D+00  0.641006D+00  0.583946D+00 -0.496336D+00 -0.297819D+00
      3   0.641006D+00  0.434211D+00  0.576201D+01 -0.297819D+00  0.120877D+01
               166           167           168           169           170 
      1   0.318792D+01 -0.329554D+00  0.557238D+00 -0.514306D+00 -0.691290D+00
      2  -0.329554D+00 -0.281840D+00  0.126837D+01 -0.691290D+00  0.439646D+00
      3   0.557238D+00  0.126837D+01 -0.482009D-01  0.908389D-01  0.121645D+00
               171           172           173           174           175 
      1   0.908389D-01 -0.129357D+02  0.140966D+00 -0.328341D+01 -0.156360D+01
      2   0.121645D+00  0.140966D+00 -0.139200D-01  0.238755D+00  0.425876D+00
      3   0.686720D+01 -0.328341D+01  0.238755D+00 -0.344660D+01 -0.511227D+00
               176           177           178           179           180 
      1   0.425876D+00 -0.511227D+00 -0.841222D+01  0.928659D-01 -0.308602D+01
      2  -0.178544D+00  0.767954D+00  0.928659D-01  0.128810D+01 -0.131420D+00
      3   0.767954D+00 -0.656444D+00 -0.308602D+01 -0.131420D+00  0.106216D+00
               181           182           183           184           185 
      1  -0.518889D+01  0.253980D+00 -0.188995D+00 -0.165857D+02 -0.245904D+01
      2   0.253980D+00 -0.112610D+02  0.884380D-01 -0.245904D+01  0.455946D+01
      3  -0.188995D+00  0.884380D-01 -0.253736D+01  0.140112D+01 -0.366264D+00
               186           187           188           189           190 
      1   0.140112D+01  0.118178D+01 -0.568573D+00 -0.436303D+01 -0.379872D+02
      2  -0.366264D+00 -0.568573D+00  0.257087D+00 -0.285565D+01 -0.617317D+01
      3  -0.163055D+01 -0.436303D+01 -0.285565D+01  0.206658D+01  0.290427D+01
               191           192           193           194           195 
      1  -0.617317D+01  0.290427D+01 -0.110505D+01 -0.328537D+01 -0.821631D+00
      2  -0.101140D+02  0.110866D+01 -0.328537D+01 -0.122270D+02  0.961515D+00
      3   0.110866D+01 -0.423595D+01 -0.821631D+00  0.961515D+00  0.607781D+00
               196           197           198           199           200 
      1   0.278287D+01  0.188350D+00 -0.775713D+01  0.399225D+02  0.111222D+02
      2   0.188350D+00  0.238645D+01 -0.792376D+00  0.111222D+02  0.779833D+01
      3  -0.775713D+01 -0.792376D+00  0.194327D+01 -0.426192D+01 -0.843288D+00
               201           202           203           204           205 
      1  -0.426192D+01  0.177143D+02  0.414226D+01 -0.191000D+01 -0.680064D+01
      2  -0.843288D+00  0.414226D+01  0.619018D+01 -0.130794D+00 -0.124659D+01
      3   0.647044D+00 -0.191000D+01 -0.130794D+00  0.273942D+01 -0.585641D-01
               206           207           208           209           210 
      1  -0.124659D+01 -0.585641D-01  0.720685D+01  0.438944D+01 -0.148511D+01
      2  -0.589380D+00  0.487416D+01  0.438944D+01  0.433270D+01 -0.851579D+00
      3   0.487416D+01 -0.120314D+01 -0.148511D+01 -0.851579D+00  0.456834D+00
               211           212           213           214           215 
      1  -0.350216D+01 -0.403234D+01  0.669040D+00 -0.474798D+00  0.805005D-02
      2  -0.403234D+01  0.918522D+00  0.273704D+00  0.805005D-02 -0.458673D+00
      3   0.669040D+00  0.273704D+00 -0.153227D+01  0.236869D+00  0.784382D+00
               216           217           218           219           220 
      1   0.236869D+00 -0.152180D+01 -0.490876D+01  0.113527D+01 -0.194748D+01
      2   0.784382D+00 -0.490876D+01 -0.122012D+01  0.133952D+01  0.343524D+01
      3  -0.598175D-01  0.113527D+01  0.133952D+01 -0.180845D-02  0.117357D+01
               221           222           223           224           225 
      1   0.343524D+01  0.117357D+01  0.118154D+01  0.117011D+01  0.282376D+01
      2   0.153629D+01  0.753973D+00  0.117011D+01  0.103760D+01  0.465842D+01
      3   0.753973D+00  0.635453D+01  0.282376D+01  0.465842D+01 -0.236285D+01
               226           227           228           229           230 
      1   0.326999D+00 -0.153231D+01  0.107242D+00 -0.282005D+00  0.778118D+00
      2  -0.153231D+01  0.215303D+01 -0.149536D-01  0.778118D+00 -0.100732D+02
      3   0.107242D+00 -0.149536D-01  0.940278D-01 -0.128869D+00  0.751471D+00
               231           232           233           234           235 
      1  -0.128869D+00  0.179184D-01  0.729237D-01 -0.705534D-01 -0.691716D+01
      2   0.751471D+00  0.729237D-01  0.806300D+00 -0.134567D+00 -0.324613D+01
      3  -0.807952D+00 -0.705534D-01 -0.134567D+00  0.935546D-01  0.110631D+01
               236           237           238           239           240 
      1  -0.324613D+01  0.110631D+01 -0.482478D+01 -0.445205D+01  0.958349D+00
      2  -0.267196D+01  0.579274D+00 -0.445205D+01 -0.480068D+01  0.913020D+00
      3   0.579274D+00 -0.387692D+00  0.958349D+00  0.913020D+00 -0.679378D+00
               241           242           243           244           245 
      1   0.147831D+01  0.896653D+00  0.273203D+00 -0.134543D+01  0.260257D+01
      2   0.896653D+00  0.817346D+00 -0.228148D+00  0.260257D+01 -0.223036D+01
      3   0.273203D+00 -0.228148D+00  0.370703D-02 -0.196196D+00 -0.565374D-01
               246           247           248           249           250 
      1  -0.196196D+00  0.324207D+01 -0.388764D+01  0.195059D+00 -0.268925D+00
      2  -0.565374D-01 -0.388764D+01  0.860261D+01 -0.469234D+00  0.966385D-01
      3  -0.282239D+00  0.195059D+00 -0.469234D+00  0.844657D+00 -0.160356D+00
               251           252           253           254           255 
      1   0.966385D-01 -0.160356D+00  0.986637D+00  0.199897D+00  0.683485D+00
      2  -0.656037D+00  0.105039D+00  0.199897D+00  0.463391D+00 -0.102994D+00
      3   0.105039D+00 -0.508533D-01  0.683485D+00 -0.102994D+00  0.563350D+00
               256           257           258           259           260 
      1  -0.162994D+01 -0.170942D+01  0.135138D+01  0.437189D+01  0.136788D+01
      2  -0.170942D+01 -0.206158D+01  0.200091D+01  0.136788D+01  0.181938D+01
      3   0.135138D+01  0.200091D+01 -0.314243D+01 -0.377500D+01 -0.302578D+01
               261           262           263           264           265 
      1  -0.377500D+01 -0.751622D+00 -0.547962D+00 -0.145113D+01 -0.350081D+01
      2  -0.302578D+01 -0.547962D+00 -0.175790D+00 -0.561664D+00 -0.298057D+01
      3   0.677914D+01 -0.145113D+01 -0.561664D+00 -0.466841D-01 -0.181545D+01
               266           267           268           269           270 
      1  -0.298057D+01 -0.181545D+01 -0.555753D+01 -0.230723D+01 -0.292219D+01
      2  -0.344880D+01 -0.221578D+01 -0.230723D+01 -0.255184D+01 -0.274237D+01
      3  -0.221578D+01 -0.263152D+01 -0.292219D+01 -0.274237D+01 -0.354720D+01
               271           272           273           274           275 
      1  -0.144032D+02  0.291201D+01  0.991980D+00  0.677190D+01 -0.232869D+01
      2   0.291201D+01 -0.121736D+01 -0.317896D+00 -0.232869D+01  0.174862D+01
      3   0.991980D+00 -0.317896D+00 -0.107239D+01 -0.639138D+00  0.107986D+00
               276           277           278           279 
      1  -0.639138D+00  0.628404D+00 -0.288710D+00 -0.167674D+01
      2   0.107986D+00 -0.288710D+00 -0.576581D-01 -0.419322D-01
      3   0.432662D+00 -0.167674D+01 -0.419322D-01  0.465756D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198816D+01  0.465817D+01 -0.177730D+00  0.526178D+01  0.557091D+01
      2   0.182790D+02  0.672268D+01 -0.922201D+00 -0.144766D+02  0.673590D+00
      3   0.115524D+00  0.440826D+02 -0.394921D+01  0.335413D+02  0.259760D+02
                 6             7             8             9            10 
      1  -0.922589D+00  0.358211D+01  0.606198D+01 -0.811653D+00  0.260358D+01
      2   0.625143D+00 -0.200623D+02 -0.341802D+01  0.267960D+01 -0.214841D+02
      3  -0.477800D+01 -0.299492D+01 -0.889079D+01  0.792494D-01  0.252717D+01
                11            12            13            14            15 
      1   0.701774D+01 -0.103476D+01  0.819011D+01  0.131818D+01  0.352207D+00
      2   0.400903D-01 -0.403723D+01  0.207467D+02  0.354905D+01 -0.213641D+01
      3   0.488118D+02 -0.450055D+01  0.701101D+02  0.240960D+02 -0.940970D+01
                16            17            18            19            20 
      1   0.294709D+01  0.554511D+01 -0.116694D+01  0.279712D+01 -0.759752D+00
      2  -0.244540D+02 -0.229856D+01  0.322227D+01 -0.284249D+02 -0.920843D+01
      3  -0.618681D+01 -0.921938D+01  0.257016D+01  0.788820D+01 -0.351685D+02
                21            22            23            24            25 
      1  -0.432677D+00 -0.582586D+00  0.443968D+01 -0.307240D+01  0.652365D+01
      2   0.380123D+00 -0.160677D+02 -0.225517D+01 -0.170873D+01 -0.159505D+02
      3   0.169577D+01  0.294090D+01  0.405973D+01 -0.511661D+00  0.511758D+01
                26            27            28            29            30 
      1   0.134350D+01  0.278051D+01  0.423622D+01  0.814131D+00 -0.195301D+00
      2  -0.691460D+01  0.225403D+01  0.391093D+02  0.491627D+01  0.130078D+01
      3   0.528219D+01  0.255224D+01  0.157299D+02  0.114407D+02 -0.109021D+01
                31            32            33            34            35 
      1   0.649627D+01 -0.642854D+01  0.359254D+01 -0.177460D+01  0.168161D+02
      2   0.504073D+01  0.959935D+00  0.237649D+00 -0.181680D+02 -0.202494D+01
      3   0.336731D+02  0.115857D+01  0.381235D+01 -0.434867D+01 -0.149416D+01
                36            37            38            39            40 
      1  -0.290816D+01  0.247234D+01 -0.621970D+01 -0.554546D+01 -0.328034D+01
      2   0.107319D+01  0.100195D+01  0.706580D+00  0.306650D+01  0.708555D+01
      3  -0.132031D+00  0.322473D+02  0.364172D+00 -0.320979D+00 -0.320041D+01
                41            42            43            44            45 
      1   0.621248D+01 -0.147600D+01 -0.173742D+02  0.812793D+01  0.145802D+01
      2   0.243106D+01  0.108164D+01 -0.843680D+01  0.813362D+01  0.592343D+00
      3   0.667143D+01 -0.293123D+01 -0.121290D+01 -0.232312D+01  0.739893D+01
                46            47            48            49            50 
      1  -0.614028D+01  0.755233D+00  0.558720D+01 -0.302473D+01 -0.504313D+01
      2  -0.586837D+01 -0.851835D+00  0.801629D+00 -0.532439D+00 -0.899844D+00
      3  -0.554168D+02 -0.325500D+02  0.653297D+01 -0.112957D+02 -0.270454D+02
                51            52            53            54            55 
      1  -0.362538D+01  0.851380D+01 -0.524224D+01 -0.287131D+01 -0.147923D+01
      2   0.955013D+00 -0.177793D+02  0.218188D+01  0.433923D+00 -0.832511D+01
      3   0.386369D+01  0.894150D+01  0.631236D+01 -0.745097D+01 -0.304618D+02
                56            57            58            59            60 
      1  -0.608238D+01  0.593287D+01  0.948458D+00 -0.379222D+01 -0.303146D+01
      2  -0.386818D+01 -0.591035D+01 -0.497805D+01 -0.383984D+01  0.392303D+01
      3  -0.353600D+02  0.489845D+01 -0.323932D+01 -0.310697D+02  0.188275D+01
                61            62            63            64            65 
      1   0.514060D+01 -0.258483D+01 -0.815625D+00  0.378131D+00  0.718474D+00
      2  -0.231540D+02  0.631662D+01  0.114036D+01 -0.714633D+00 -0.343225D+00
      3   0.443972D+01  0.614742D+01 -0.119072D+02 -0.112742D+01  0.164019D+01
                66            67            68            69            70 
      1   0.502271D+00 -0.440501D+00  0.168729D+01 -0.332902D+01  0.217329D+00
      2  -0.156821D+00 -0.832868D+00  0.858393D+00 -0.116499D+01 -0.247650D+01
      3   0.117480D+00  0.533880D+01  0.426545D+01 -0.596363D+00 -0.521035D-01
                71            72            73            74            75 
      1   0.210158D+01 -0.192905D+00 -0.201856D+00 -0.124231D+01 -0.219499D+01
      2   0.121534D+01 -0.517041D-01  0.365564D+01  0.132458D+01  0.164882D+01
      3  -0.438752D+00 -0.855013D+00  0.950946D+01  0.154052D+00 -0.904515D+00
                76            77            78            79            80 
      1  -0.150597D+01 -0.209206D+01 -0.260273D+01  0.324091D+01  0.134495D+01
      2   0.189371D+01  0.150540D+01  0.222098D+01 -0.330661D+01 -0.283009D-01
      3   0.171729D+01 -0.143290D+01 -0.170574D+00 -0.181786D+01  0.217422D+00
                81            82            83            84            85 
      1  -0.257523D+00 -0.120830D+01  0.153011D+01  0.116279D+01  0.366605D+00
      2  -0.618799D+00 -0.763676D+00  0.879505D+00  0.653481D+00  0.692551D+00
      3  -0.127911D+01 -0.521277D+01  0.278811D+01  0.495161D-01  0.517049D+01
                86            87            88            89            90 
      1  -0.425247D+01 -0.443080D+01 -0.114790D+01  0.273478D+01  0.368098D+00
      2  -0.134917D+01 -0.821302D+00 -0.498336D+00 -0.105033D+01  0.212139D+00
      3  -0.410908D+01  0.750706D+00  0.612088D+00  0.495432D+00  0.104407D+01
                91            92            93            94            95 
      1  -0.131485D+01  0.109303D+01 -0.180054D+00 -0.252980D+01 -0.338185D+00
      2  -0.282768D+02 -0.288084D+01 -0.110707D+02  0.173569D+01  0.861436D+01
      3  -0.140506D+01 -0.292937D+01 -0.862045D+00  0.187456D+02 -0.690050D+01
                96            97            98            99           100 
      1  -0.342136D+01 -0.265270D+01  0.307882D+01  0.362763D+01  0.606411D+00
      2  -0.937196D+00 -0.471217D+02 -0.688011D+01 -0.727855D+01 -0.248024D+01
      3  -0.133307D+02 -0.283992D+01 -0.138424D+02  0.647155D+01  0.116262D+02
               101           102           103           104           105 
      1  -0.352199D+01  0.414193D+01 -0.102723D+01 -0.402851D+01  0.609215D+01
      2   0.496048D+01  0.178242D+02  0.134624D+01 -0.916553D+01  0.447987D+01
      3  -0.178160D+02 -0.709148D+01 -0.120476D+02  0.819138D+00  0.149645D+02
               106           107           108           109           110 
      1   0.604776D-01  0.107125D+02  0.182119D+01 -0.675031D+01 -0.217028D+01
      2   0.907510D+01  0.102635D+02  0.153787D+02  0.243251D+02  0.280502D+01
      3  -0.553182D+01  0.102912D+02 -0.160170D+02  0.172996D+01  0.163231D+02
               111           112           113           114           115 
      1   0.405118D+01 -0.140835D+02 -0.369037D+01 -0.178466D+02  0.418469D+01
      2   0.317227D+01 -0.188085D+01  0.236937D+00 -0.287480D+01  0.303254D+02
      3   0.265831D+00  0.130999D+02  0.904686D+01  0.336121D+01  0.155339D+01
               116           117           118           119           120 
      1  -0.450375D+01  0.187577D+01 -0.680842D+00 -0.136637D+01  0.480938D+00
      2  -0.131484D+00  0.160241D+01 -0.368759D+01 -0.879430D+00  0.630246D+01
      3   0.523859D+01 -0.128836D+01 -0.787319D+01 -0.635067D+01  0.225667D+01
               121           122           123           124           125 
      1   0.565363D-01 -0.230218D+01  0.482880D+00  0.323901D+00  0.286002D+01
      2   0.474000D+00 -0.531867D+01  0.579924D+01  0.691598D+01  0.493258D+01
      3  -0.191508D+01 -0.888859D+01  0.725387D+01  0.236608D+01  0.887829D+01
               126           127           128           129           130 
      1  -0.102565D+01 -0.113569D+01  0.152395D+01 -0.284848D+01  0.264232D+00
      2  -0.922743D+01 -0.767092D+01 -0.330059D+01 -0.101022D+02  0.200866D+00
      3  -0.652206D+01  0.378056D+01  0.520960D+01  0.664436D+01  0.324366D+01
               131           132           133           134           135 
      1   0.956220D-01 -0.226513D+01 -0.179394D+01  0.134247D+01 -0.779227D+01
      2  -0.379262D+01 -0.488131D+01 -0.607058D+01 -0.862703D+01 -0.262655D+02
      3   0.442117D+01  0.448006D+01  0.296891D+01  0.661156D+01  0.132972D+02
               136           137           138           139           140 
      1   0.187490D+01  0.147554D+01 -0.223239D+01  0.413688D+00  0.805880D+01
      2   0.211858D+01 -0.597700D+00 -0.210166D+01 -0.559639D+00  0.560817D+01
      3   0.530372D+01  0.510626D+01 -0.177659D+01  0.336926D+01  0.179522D+02
               141           142           143           144           145 
      1  -0.732115D+01 -0.430175D+00 -0.518959D+01  0.682336D+01  0.331147D+00
      2  -0.535954D+01 -0.179266D+01 -0.553974D+01  0.547085D+01  0.727098D+01
      3  -0.725461D+01 -0.188488D+01 -0.118576D+02  0.847122D+01 -0.644461D+01
               146           147           148           149           150 
      1  -0.175604D+01  0.185828D+01 -0.119675D+01  0.776567D+00 -0.130638D+01
      2  -0.394210D+00  0.572037D+01 -0.142708D+01  0.187525D+01 -0.359527D+00
      3  -0.618057D+01 -0.213060D+00 -0.127153D+01  0.100942D+01 -0.143895D+01
               151           152           153           154           155 
      1   0.126142D+01 -0.508876D+00 -0.446244D+00  0.522332D+01  0.202845D+01
      2   0.259888D+01 -0.155480D+01 -0.251761D+01 -0.999070D+01  0.969629D-01
      3   0.130994D+01 -0.125549D+01  0.589007D+00 -0.749995D+01 -0.262097D+02
               156           157           158           159           160 
      1  -0.394248D+01  0.102504D+02  0.267115D+01  0.141950D+01 -0.195370D+01
      2   0.230446D+02  0.338214D+01 -0.103054D+01  0.410186D+01  0.755567D+01
      3  -0.141023D+01 -0.171440D+02 -0.115795D+02 -0.215126D+01 -0.675075D+00
               161           162           163           164           165 
      1   0.304454D+01 -0.283874D+00  0.680851D+01  0.200146D+01  0.132856D+01
      2   0.313972D+01  0.258073D+01 -0.100959D+02 -0.298801D+01  0.142287D+01
      3  -0.268863D+01 -0.182226D+01 -0.323952D+01 -0.295060D+01  0.599480D+00
               166           167           168           169           170 
      1   0.530402D+01 -0.436271D+00  0.526228D+01  0.209103D+01  0.797615D+01
      2  -0.254425D+01  0.623723D+01  0.394407D+00 -0.122692D+02  0.474739D+00
      3   0.179309D+01  0.604998D+00 -0.597145D+01  0.146664D+01 -0.286364D+01
               171           172           173           174           175 
      1  -0.141892D+01 -0.656731D+01 -0.155814D+01 -0.233379D+01 -0.612936D+01
      2   0.231816D+02  0.227011D+02  0.162822D+01 -0.640123D+01  0.351328D+01
      3   0.674797D+00  0.263633D+01  0.160313D+01 -0.448915D-01  0.481882D+01
               176           177           178           179           180 
      1   0.290992D+00 -0.291079D+01 -0.212770D+01 -0.120158D+01 -0.685000D+00
      2   0.231007D+01 -0.968354D+00 -0.137071D+01  0.621048D+00  0.164229D+01
      3  -0.417160D-02 -0.108127D+01  0.380510D+00  0.106515D+01  0.130160D+00
               181           182           183           184           185 
      1  -0.401895D+00  0.448773D+01 -0.654787D+01 -0.324548D+01  0.294333D+00
      2   0.980561D+00  0.195043D+01  0.835502D+01 -0.679128D+01  0.285187D+01
      3   0.174626D+02  0.622949D+01 -0.258869D+01 -0.187986D+02  0.884046D+01
               186           187           188           189           190 
      1  -0.123605D+01 -0.125278D+02  0.616761D+01  0.262568D+01  0.303044D+01
      2   0.495189D+01 -0.368019D+01  0.118948D+02 -0.413541D+01 -0.114897D+02
      3   0.420773D+00  0.219851D+01 -0.379371D+01  0.285435D+00  0.116099D+02
               191           192           193           194           195 
      1   0.805054D+01  0.813511D+00  0.766921D+01  0.708642D+01  0.254427D+01
      2  -0.623152D+00  0.277950D+01  0.321676D+01 -0.251642D+01 -0.141823D+01
      3   0.227818D+02 -0.407782D+01  0.514007D+02  0.104600D+02 -0.665272D+01
               196           197           198           199           200 
      1  -0.148685D+01  0.135704D+02 -0.195253D+01 -0.574262D+00 -0.705021D+01
      2   0.393324D+01 -0.447463D+01 -0.238073D+01  0.165920D+02 -0.875457D+00
      3  -0.774323D+01 -0.527022D+01  0.460132D-01  0.101266D+02 -0.407511D+02
               201           202           203           204           205 
      1   0.406311D+00 -0.110707D+01 -0.391751D+01 -0.305105D+01  0.774863D+01
      2   0.220711D+01  0.335044D+01 -0.203513D+01 -0.567872D+01 -0.202902D+02
      3   0.401146D+01 -0.322492D+01 -0.139583D+02  0.380230D+01  0.116982D+01
               206           207           208           209           210 
      1   0.304608D+01 -0.133917D+01 -0.277066D+01 -0.741905D+01 -0.113561D+01
      2  -0.176267D+02  0.457191D+01  0.124569D+01 -0.171878D+01  0.135991D+02
      3   0.901796D+01  0.769389D+01 -0.783114D+01 -0.446137D+02  0.435893D+01
               211           212           213           214           215 
      1  -0.709861D-01  0.281120D+00 -0.509328D+01 -0.201086D+01 -0.147932D+01
      2  -0.133790D+01  0.488296D+00  0.759810D+01 -0.730967D+01 -0.140629D+01
      3  -0.386538D+01  0.110240D+02 -0.885339D+00  0.305894D+01  0.494382D+01
               216           217           218           219           220 
      1   0.131605D+01 -0.818289D+00  0.295967D+01  0.981613D+00  0.501168D+01
      2  -0.104391D+01 -0.697824D+01 -0.440622D+01 -0.141778D+01 -0.418145D+01
      3   0.254788D+01 -0.329698D+02  0.132844D+02  0.660910D+01  0.335656D+02
               221           222           223           224           225 
      1   0.400809D+01  0.476629D+01  0.133831D+02  0.692186D+01 -0.368265D+00
      2  -0.402211D+01 -0.410111D+02 -0.216873D+02 -0.311231D+02  0.148529D+02
      3   0.258204D+02  0.118404D+01  0.526065D+01  0.172355D+01  0.313427D+02
               226           227           228           229           230 
      1  -0.292605D+00  0.476917D+00  0.112060D+01 -0.164312D+00  0.385273D+00
      2  -0.623632D+00  0.112250D+00  0.461678D+00  0.576247D+00 -0.207097D+01
      3  -0.722396D+01  0.558821D+01  0.207380D+00  0.521943D+01 -0.203961D+02
               231           232           233           234           235 
      1  -0.441530D+01 -0.185888D+00  0.278801D+01  0.208377D+00  0.170208D+01
      2   0.485430D+00  0.537161D-01 -0.338940D+00 -0.324766D-01 -0.189383D+01
      3   0.179223D+01  0.387516D+00  0.120410D+01  0.535316D+00  0.531206D+01
               236           237           238           239           240 
      1   0.166730D+00 -0.185779D+01  0.631726D+00 -0.125774D+00 -0.271240D+01
      2  -0.137853D+01  0.188044D+01 -0.217399D+01 -0.234247D+01  0.337378D+01
      3  -0.471212D+01 -0.232343D+00 -0.550363D+01 -0.115878D+02  0.161550D+01
               241           242           243           244           245 
      1   0.235536D+01  0.105618D+01 -0.804104D-02 -0.215617D+00  0.588562D+00
      2  -0.280546D+01  0.308584D+00 -0.152020D+00 -0.496353D-01  0.657883D+00
      3  -0.253903D+00  0.152428D+01 -0.130096D+01  0.409357D+01 -0.381790D+01
               246           247           248           249           250 
      1   0.118557D+01  0.374825D+00 -0.472578D+00 -0.391514D+01 -0.301084D+00
      2   0.134011D+01  0.235088D+00  0.605609D+00 -0.307485D+01 -0.222099D+01
      3  -0.308077D+00 -0.290902D+01  0.204959D+02 -0.131891D+01 -0.227975D-01
               251           252           253           254           255 
      1   0.172983D+01  0.762398D-01 -0.103857D+01  0.268961D+00  0.109348D+01
      2   0.359902D+00  0.199211D+00 -0.594814D+01  0.973153D+00 -0.291311D+01
      3  -0.201391D+01 -0.234325D+00 -0.963238D+00  0.107319D+01 -0.120178D+01
               256           257           258           259           260 
      1  -0.927539D-01 -0.116966D+01 -0.201385D+01 -0.232274D+01  0.228279D+01
      2  -0.577050D+01 -0.111920D+02  0.184249D+02  0.161326D+02  0.183818D+02
      3  -0.976472D+01 -0.175607D+02  0.128829D+02  0.709856D+01  0.145736D+02
               261           262           263           264           265 
      1   0.375289D+01 -0.250813D+00 -0.363815D+00 -0.164735D+00 -0.313984D+01
      2  -0.382631D+02  0.934034D+01  0.319057D+01  0.133843D+01  0.904356D+01
      3  -0.199089D+02 -0.510136D+01 -0.323898D+01 -0.256554D+01 -0.161843D+02
               266           267           268           269           270 
      1  -0.305503D+01 -0.443413D+01 -0.444819D+01 -0.116380D+01 -0.536265D+01
      2   0.127344D+02  0.167298D+02  0.145995D+02  0.171196D+02  0.213549D+02
      3  -0.262270D+02 -0.126848D+02 -0.108278D+02 -0.177402D+02 -0.167824D+02
               271           272           273           274           275 
      1   0.176535D+01 -0.110536D+01  0.177012D+00 -0.139436D+01  0.779983D+00
      2  -0.781192D-01  0.537533D+00  0.854655D+01  0.102109D+01  0.290792D+00
      3   0.233914D+02 -0.128488D+02 -0.229192D+01 -0.157434D+02  0.117238D+02
               276           277           278           279 
      1  -0.891762D+00 -0.135544D+01  0.238055D+00  0.155450D+00
      2  -0.298770D+01  0.807457D+01  0.407928D+00 -0.225796D+01
      3   0.882545D+00 -0.193770D+01  0.165168D+00 -0.229205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.882118D+02 -0.403978D+02  0.107784D+02  0.890060D+02 -0.314019D+01
      2   0.467578D+02  0.218842D+02 -0.721647D+01 -0.450016D+02  0.671736D+01
      3   0.414540D+02  0.185136D+02 -0.356190D+01 -0.440044D+02 -0.357718D+01
      4  -0.406926D+02 -0.140453D+01  0.270454D+01 -0.347732D+01  0.607724D+01
      5   0.165303D+02  0.223227D+01 -0.201161D+01  0.837721D+00  0.174753D+01
      6   0.201478D+01 -0.309044D+01  0.304528D+00  0.310860D+01  0.226723D+01
                 6             7             8             9            10 
      1  -0.969177D+01  0.297623D+01  0.381309D+01 -0.994075D+01  0.858932D+02
      2   0.395538D+01 -0.307643D+01 -0.313977D+01 -0.773159D+00 -0.369896D+02
      3   0.573639D+01  0.100205D+00 -0.673326D+00  0.107139D+02 -0.489036D+02
      4  -0.729348D-01  0.460033D+01  0.545899D+00 -0.615245D+00  0.198571D+02
      5  -0.100771D+01 -0.110727D+01  0.119828D+01  0.310353D+01 -0.154618D+02
      6  -0.115015D+01 -0.309598D+01  0.371071D+01  0.217381D+01 -0.249588D+00
                11            12            13            14            15 
      1   0.282875D+01 -0.106639D+02 -0.991723D+02 -0.244099D+02  0.106453D+02
      2  -0.240975D+01  0.354171D+01  0.445213D+02  0.214958D+02 -0.751473D+01
      3  -0.419001D+00  0.712222D+01  0.546509D+02  0.291410D+01 -0.313053D+01
      4  -0.369067D+01 -0.259196D+01 -0.186202D+02 -0.154854D+02  0.227259D+01
      5  -0.128757D+01 -0.828572D+01  0.605678D+00 -0.672564D+00  0.119661D+01
      6   0.819932D+00 -0.178445D+00 -0.562686D+00 -0.508723D+01 -0.150789D+01
                16            17            18            19            20 
      1  -0.818400D+00  0.924146D+00 -0.947279D+01  0.576487D+02  0.503484D+02
      2  -0.168531D+01 -0.542456D+00 -0.489451D+00 -0.304553D+02 -0.332658D+02
      3   0.250371D+01 -0.381690D+00  0.996224D+01 -0.271934D+02 -0.170825D+02
      4  -0.462517D+00  0.287894D+01 -0.248502D+01  0.408499D+02 -0.307810D+01
      5   0.128342D-01 -0.227695D+01  0.424544D+01 -0.154407D+02 -0.480508D+01
      6  -0.231845D+01  0.482271D+01  0.569144D+00 -0.206557D+01  0.951112D+01
                21            22            23            24            25 
      1  -0.166332D+02 -0.111790D+02  0.249152D+02 -0.962147D+01 -0.887043D+01
      2   0.910953D+01  0.183496D+02 -0.285716D+02  0.542577D+01 -0.808661D+00
      3   0.752367D+01 -0.717066D+01  0.365635D+01  0.419570D+01  0.967909D+01
      4  -0.401585D+01  0.199332D+02  0.119349D+01 -0.179368D+01 -0.129400D+02
      5  -0.253706D+01 -0.767507D+01 -0.195597D+01 -0.655928D+01  0.100277D+02
      6  -0.142415D+01 -0.363832D+01  0.854943D+01  0.542617D+01  0.607918D+00
                26            27            28            29            30 
      1  -0.178776D+02 -0.525931D+01  0.177117D+02 -0.267533D+01  0.131471D+02
      2   0.101341D+02 -0.535663D+01 -0.271900D+02  0.470726D+01 -0.581590D+01
      3   0.774352D+01  0.106159D+02  0.947828D+01 -0.203193D+01 -0.733121D+01
      4  -0.180793D+01 -0.344356D+01 -0.136648D+02  0.960183D+01 -0.147532D+01
      5  -0.827981D+01  0.447334D+01  0.164010D+02 -0.165988D+01  0.834847D+01
      6   0.847016D+01  0.371647D+01  0.439430D+01 -0.502359D+01  0.167705D+01
                31            32            33            34            35 
      1  -0.343683D+02 -0.667242D+02  0.963500D+01  0.183810D+02  0.110416D+02
      2   0.270123D+02  0.564741D+02 -0.108752D+02 -0.195352D+01 -0.796027D+01
      3   0.735608D+01  0.102501D+02  0.124019D+01 -0.164275D+02 -0.308136D+01
      4  -0.387100D+02  0.665545D+00 -0.143109D+01  0.927072D+01 -0.292040D+01
      5   0.115087D+02  0.180973D+01  0.312813D+00  0.245873D+02  0.421468D+01
      6   0.636021D+00 -0.156198D+02 -0.926005D+00 -0.703446D+00  0.576103D+01
                36            37            38            39            40 
      1  -0.779770D+01 -0.109872D+02 -0.710171D+02  0.115387D+02  0.279464D+02
      2  -0.660190D+01  0.542547D+01  0.544293D+02 -0.321502D+01 -0.296526D+02
      3   0.143996D+02  0.556175D+01  0.165878D+02 -0.832370D+01  0.170620D+01
      4  -0.138687D+01 -0.601884D+01 -0.111058D+02  0.530110D+01  0.108710D+02
      5  -0.209594D+01 -0.346569D+01  0.979644D+01  0.542337D+01  0.248797D+01
      6   0.692090D+00  0.460369D+01 -0.100089D+02  0.131303D+02  0.572132D+01
                41            42            43            44            45 
      1   0.407264D+02 -0.453502D+01  0.544574D+01  0.896089D+01 -0.175410D+02
      2  -0.358721D+02  0.611870D+01  0.785062D+01 -0.916223D+00  0.366338D+00
      3  -0.485428D+01 -0.158368D+01 -0.132964D+02 -0.804467D+01  0.171746D+02
      4  -0.138820D+02  0.369114D+01  0.105085D+02  0.551375D+01  0.824666D+01
      5   0.619652D+00  0.547546D+01  0.167671D+02  0.503097D+01 -0.662947D+01
      6   0.120808D+02 -0.129184D+01  0.185705D+02  0.108773D+02 -0.843678D+01
                46            47            48            49            50 
      1   0.166703D+02  0.488045D+02 -0.132189D+02 -0.221540D+02 -0.427160D+01
      2  -0.122913D+02 -0.350519D+02  0.405658D+01  0.178281D+02 -0.826895D+01
      3  -0.437900D+01 -0.137526D+02  0.916229D+01  0.432593D+01  0.125405D+02
      4  -0.525515D+01 -0.562792D+01  0.576858D+00  0.273569D+01  0.142334D+02
      5   0.128097D+02 -0.141708D+01 -0.190068D+01  0.322477D+01 -0.103421D+01
      6   0.647594D-01  0.133683D+02 -0.122083D+02 -0.319969D+01  0.421455D+01
                51            52            53            54            55 
      1   0.828386D+00 -0.272974D+01 -0.588416D+01 -0.243943D+02  0.189214D+02
      2   0.373828D+01  0.344942D+00  0.145113D+02  0.119526D+02 -0.159034D+02
      3  -0.456667D+01  0.238479D+01 -0.862714D+01  0.124417D+02 -0.301802D+01
      4  -0.181999D+01 -0.441783D-02  0.183129D+01 -0.405226D+01  0.279504D+02
      5  -0.577950D+00  0.304181D+01  0.431138D-01  0.430155D+01 -0.132929D+02
      6   0.917897D+01 -0.359653D+01  0.235827D+02 -0.556718D+01 -0.301854D+01
                56            57            58            59            60 
      1   0.505746D+02 -0.105254D+02  0.252640D+01  0.212204D+02 -0.399654D+01
      2  -0.307411D+02  0.417056D+01  0.316159D+01 -0.224615D+02  0.390492D+01
      3  -0.198335D+02  0.635481D+01 -0.568798D+01  0.124115D+01  0.916141D-01
      4  -0.372931D+02 -0.167763D+00  0.313685D+02  0.190475D+02 -0.154755D+01
      5  -0.900198D+00 -0.118422D+02 -0.488762D+01 -0.190884D+00  0.554899D+01
      6   0.364490D+01 -0.985444D+01 -0.152730D+01  0.513686D+01  0.852203D+01
                61            62            63            64            65 
      1  -0.419962D+01 -0.916379D+01 -0.207530D+02  0.210665D+01 -0.422313D+00
      2   0.283667D+01  0.988042D+01  0.810393D+01  0.124348D+01 -0.103666D+01
      3   0.136295D+01 -0.716630D+00  0.126491D+02 -0.335013D+01  0.145897D+01
      4  -0.437223D+01  0.834697D+01  0.133868D+02 -0.730258D+01  0.931954D+01
      5   0.235569D+01  0.154251D+02  0.166987D+01 -0.299965D+01  0.149597D+01
      6   0.156479D+01  0.216839D+02  0.253398D+00  0.187660D+01 -0.163138D+01
                66            67            68            69            70 
      1  -0.835961D+00  0.441970D+01 -0.221761D+02 -0.265715D-01 -0.309313D+01
      2   0.418114D+00 -0.808828D+01  0.280456D+02  0.395788D-02  0.235840D+01
      3   0.417847D+00  0.366858D+01 -0.586956D+01  0.226136D-01  0.734732D+00
      4   0.585964D+00  0.124641D+02 -0.181884D+02 -0.267851D+00  0.557536D+00
      5   0.845487D+00  0.136246D+01 -0.375831D+00 -0.198617D+01  0.170285D+00
      6  -0.445445D+00 -0.235985D+01  0.414223D+01  0.453727D+01 -0.196876D+01
                71            72            73            74            75 
      1   0.263016D+01 -0.294629D+01  0.472948D+01 -0.351087D+01  0.126501D+01
      2  -0.226777D+01  0.308743D+01  0.511112D+01  0.109805D+02 -0.137629D+01
      3  -0.362384D+00 -0.141136D+00 -0.984061D+01 -0.746958D+01  0.111288D+00
      4   0.809949D+00 -0.697166D+00  0.286639D+02  0.241565D+02 -0.559777D+01
      5   0.238548D+00 -0.115556D+00 -0.909875D+01 -0.576388D+01  0.538303D+01
      6   0.209192D+01 -0.578971D+00 -0.785531D+01 -0.712933D+01  0.441798D+01
                76            77            78            79            80 
      1  -0.811935D+01 -0.154345D+02  0.421386D+01 -0.628006D+00  0.225477D+01
      2   0.170636D+02  0.260052D+02 -0.410552D+01 -0.274825D+01 -0.317117D+01
      3  -0.894422D+01 -0.105708D+02 -0.108332D+00  0.337626D+01  0.916399D+00
      4   0.276157D+02  0.316202D+02 -0.621588D+01 -0.667913D+01 -0.564768D+01
      5  -0.611450D+01 -0.651290D+01  0.464596D+01  0.146412D+01  0.351677D+01
      6  -0.909409D+01 -0.110407D+02  0.714483D+01  0.464603D+00  0.445412D+01
                81            82            83            84            85 
      1  -0.642131D+00 -0.583804D+01  0.970597D+01 -0.220377D+00  0.642690D+01
      2   0.162648D+01  0.835995D+01 -0.140174D+02  0.455073D+00 -0.777704D+01
      3  -0.984348D+00 -0.252192D+01  0.431147D+01 -0.234696D+00  0.135014D+01
      4   0.359568D+01 -0.516041D+01  0.138177D+02 -0.122609D+01  0.746591D+01
      5  -0.171112D+01  0.162880D+01 -0.263923D+01  0.212840D+01 -0.149194D+01
      6  -0.215709D+01 -0.174072D+01  0.200528D+01 -0.177106D+01  0.208360D+01
                86            87            88            89            90 
      1  -0.562065D+02  0.643218D+01 -0.228347D+00  0.453048D+01 -0.196747D+01
      2   0.747316D+02 -0.632407D+01  0.694129D+00 -0.565728D+01  0.234211D+01
      3  -0.185251D+02 -0.108108D+00 -0.465782D+00  0.112680D+01 -0.374641D+00
      4  -0.156236D+02  0.176913D+01 -0.105238D+01 -0.497747D+00 -0.137641D+01
      5   0.497182D+01 -0.160451D+01  0.100020D+01 -0.178637D+01  0.595800D-01
      6  -0.146483D+02  0.901071D+01  0.514426D+00  0.420034D+01 -0.139674D+01
                91            92            93            94            95 
      1  -0.444593D+02 -0.205499D+02 -0.129511D+02 -0.811391D+01 -0.480295D+00
      2   0.374453D+02  0.173534D+02  0.663419D+01  0.102948D+02 -0.337435D-01
      3   0.701404D+01  0.319649D+01  0.631687D+01 -0.218087D+01  0.514039D+00
      4  -0.113531D+02 -0.121593D+02  0.233764D+01 -0.243238D+02  0.128544D+02
      5  -0.178927D+02  0.182015D+01 -0.255059D+02  0.827699D+01  0.277601D+02
      6   0.239571D+00  0.542102D+01  0.514636D+00  0.806624D+01 -0.459701D+01
                96            97            98            99           100 
      1   0.106214D+02 -0.380031D+02 -0.149953D+01 -0.219043D+02 -0.613990D+02
      2  -0.111781D+02  0.282076D+02 -0.469372D+01  0.141288D+02  0.332390D+02
      3   0.556677D+00  0.979555D+01  0.619325D+01  0.777548D+01  0.281600D+02
      4   0.278676D+02  0.200056D+01  0.231755D+02 -0.105455D+02  0.301195D+02
      5  -0.220861D+01 -0.491785D+02 -0.130648D+02 -0.368941D+00  0.308247D+02
      6  -0.103138D+02 -0.686881D+01 -0.268235D+01  0.724366D+01 -0.647110D+01
               101           102           103           104           105 
      1   0.288065D+02  0.290808D+02  0.560927D+01  0.523190D+01 -0.533091D+01
      2  -0.204524D+02 -0.638965D+01 -0.821191D+01 -0.464175D+01  0.202674D+02
      3  -0.835418D+01 -0.226911D+02  0.260265D+01 -0.590141D+00 -0.149365D+02
      4   0.112609D+02 -0.527978D+00  0.185310D+02 -0.160062D+02 -0.273080D+02
      5  -0.106562D+00  0.220314D+02  0.272559D+01 -0.283475D+02  0.477642D+01
      6  -0.445726D+01 -0.135669D+02 -0.811465D+01  0.146318D+02 -0.524296D+00
               106           107           108           109           110 
      1   0.201242D+02  0.197106D+01  0.392766D+02 -0.105032D+03 -0.152893D+02
      2  -0.871527D+01  0.154836D+02 -0.153759D+02  0.420573D+02  0.163441D+01
      3  -0.114089D+02 -0.174546D+02 -0.239007D+02  0.629749D+02  0.136549D+02
      4   0.318762D+01 -0.186347D+02  0.101087D+02 -0.282872D+02 -0.236102D+02
      5   0.144499D+02  0.160085D+02  0.148807D+02 -0.224218D+02 -0.793812D+01
      6  -0.773131D+01 -0.721659D+01 -0.164580D+02 -0.244861D+01 -0.304278D+01
               111           112           113           114           115 
      1  -0.145822D+02 -0.136899D+02 -0.859389D+01 -0.660149D+01  0.549782D+02
      2   0.400487D+01  0.237136D+01  0.706515D+01  0.164220D+01 -0.429964D+02
      3   0.105774D+02  0.113185D+02  0.152874D+01  0.495929D+01 -0.119818D+02
      4  -0.641683D+01  0.119881D+02 -0.970228D+01 -0.306547D+01 -0.369951D+01
      5  -0.901260D+01 -0.693297D+01 -0.386572D+01 -0.122672D+01  0.482691D+02
      6  -0.235085D+01 -0.517867D+01  0.272529D+00  0.375659D+01  0.929734D+01
               116           117           118           119           120 
      1   0.224186D+01  0.341120D+02  0.180890D+02  0.984880D+01 -0.692949D+01
      2  -0.332346D+01 -0.130105D+02 -0.133345D+02 -0.734238D+01  0.599634D+01
      3   0.108160D+01 -0.211016D+02 -0.475443D+01 -0.250642D+01  0.933148D+00
      4  -0.775436D+00  0.438868D+01  0.161442D+02  0.129679D+02 -0.601121D+01
      5   0.593840D+01  0.580878D+01 -0.176750D+02 -0.704534D+01  0.180333D+02
      6  -0.223577D+01 -0.941826D+00 -0.589754D+01 -0.324034D+01  0.322644D+01
               121           122           123           124           125 
      1   0.197574D+02  0.242801D+01 -0.194528D+01 -0.825746D+01 -0.101116D+01
      2  -0.130594D+02 -0.130518D+01  0.388121D+01  0.889605D+01  0.501723D+01
      3  -0.669807D+01 -0.112283D+01 -0.193593D+01 -0.638597D+00 -0.400608D+01
      4   0.156885D+02  0.194034D+02 -0.161357D+02 -0.812814D+01 -0.165786D+02
      5  -0.140312D+02 -0.167438D+02  0.146537D+02  0.258336D+02  0.135613D+02
      6  -0.531739D+01 -0.891364D+01  0.917447D+01  0.561384D+01  0.786557D+01
               126           127           128           129           130 
      1   0.237314D+01 -0.554628D+01 -0.104301D+02 -0.217689D+02 -0.552602D+00
      2  -0.110122D+02  0.886713D-02  0.634675D+01  0.438525D+01 -0.636932D-01
      3   0.863904D+01  0.553741D+01  0.408337D+01  0.173836D+02  0.616295D+00
      4   0.132679D+02  0.320148D+00 -0.535138D+01 -0.151163D+01  0.322019D+00
      5  -0.282031D+02 -0.474393D+01 -0.418525D+01 -0.103008D+02  0.974677D+00
      6  -0.834421D+01  0.378111D+01  0.626824D+01  0.115062D+02  0.137093D+01
               131           132           133           134           135 
      1  -0.104150D+02 -0.873437D+01 -0.115319D+02 -0.130782D+02 -0.403324D+02
      2   0.621147D+01  0.347744D+01  0.410582D+01  0.354021D+01 -0.157785D+01
      3   0.420357D+01  0.525693D+01  0.742610D+01  0.953802D+01  0.419103D+02
      4  -0.479368D+01 -0.425666D+01  0.709316D+01 -0.109208D+02 -0.123372D+02
      5  -0.411608D+01 -0.687525D+01  0.526715D+01 -0.161448D+02 -0.420554D+02
      6   0.715881D+01  0.120237D+02  0.446875D+00  0.157834D+02  0.301753D+02
               136           137           138           139           140 
      1   0.701225D+00 -0.934746D+01  0.109046D+01 -0.675109D+01 -0.168714D+02
      2   0.218825D+01  0.896049D+01 -0.312097D+01  0.222690D+01  0.309031D+02
      3  -0.288948D+01  0.386969D+00  0.203052D+01  0.452419D+01 -0.140317D+02
      4  -0.307361D+01 -0.342936D+01 -0.720299D+00  0.816102D+01 -0.279710D+02
      5   0.183248D+01  0.114238D+01 -0.452932D+01  0.179483D+01  0.119258D+02
      6  -0.148137D+01  0.518612D+00  0.331889D+01 -0.321163D-01 -0.353760D+01
               141           142           143           144           145 
      1   0.574490D+01  0.469234D+01  0.695137D+01 -0.102886D+02  0.972258D+02
      2  -0.130557D+02 -0.143977D+01 -0.166180D+02  0.108589D+02 -0.492624D+02
      3   0.731078D+01 -0.325256D+01  0.966664D+01 -0.570320D+00 -0.479635D+02
      4   0.983887D+01 -0.804644D+01  0.208306D+02 -0.891799D+01 -0.542070D+02
      5  -0.115278D+02 -0.161837D+01 -0.108230D+02  0.126606D+02 -0.403426D+02
      6   0.749005D+01  0.816294D+00  0.614064D+01 -0.641082D+01  0.112454D+02
               146           147           148           149           150 
      1  -0.196376D+02 -0.149755D+02 -0.960152D+01  0.844704D+01  0.110009D+01
      2   0.601682D+01  0.101051D+02  0.103892D+01 -0.136529D+01 -0.121869D+01
      3   0.136208D+02  0.487043D+01  0.856260D+01 -0.708175D+01  0.118597D+00
      4   0.252240D+02  0.110872D+02  0.174753D+02 -0.899239D+01 -0.896621D+00
      5   0.109963D+02  0.195932D+02  0.291944D+01 -0.235782D+01 -0.167535D+01
      6  -0.601067D+01 -0.605194D+01 -0.410037D+01  0.111995D+01  0.241566D+01
               151           152           153           154           155 
      1  -0.102266D+02  0.145953D+01  0.590290D+01  0.210990D+03  0.275475D+02
      2   0.803892D+01 -0.275087D+01 -0.543743D+01 -0.992681D+02 -0.989077D+01
      3   0.218764D+01  0.129134D+01 -0.465472D+00 -0.111722D+03 -0.176568D+02
      4   0.491807D+01 -0.427788D+00 -0.624354D+01  0.385324D+02  0.435756D+02
      5   0.171939D+02 -0.556365D+01 -0.102023D+02  0.438090D+02  0.898957D+01
      6  -0.457805D+01  0.320191D+01  0.379167D+01  0.747361D+00  0.492714D+01
               156           157           158           159           160 
      1   0.149778D+02  0.235656D+02  0.355367D+02  0.120639D+01  0.126986D+02
      2  -0.126305D+02 -0.628826D+01 -0.123082D+02 -0.821683D+00 -0.115766D+02
      3  -0.234734D+01 -0.172774D+02 -0.232285D+02 -0.384705D+00 -0.112194D+01
      4   0.690777D+01  0.514018D+02  0.263224D+02  0.594820D+01  0.545338D+01
      5   0.418815D+02  0.559788D+01  0.971164D+01  0.608332D+01  0.398883D+02
      6   0.154177D+01  0.102253D+02  0.374880D+01  0.557645D+01  0.224458D+01
               161           162           163           164           165 
      1   0.138669D+01  0.226514D+02  0.739036D+02  0.720315D+01  0.220615D+02
      2  -0.134510D+01 -0.154897D+02 -0.499058D+02 -0.288110D+01 -0.138051D+02
      3  -0.415876D-01 -0.716169D+01 -0.239978D+02 -0.432205D+01 -0.825638D+01
      4   0.284596D+01  0.604862D+01  0.884192D+01  0.652808D+01 -0.115113D+01
      5   0.678084D+01  0.121328D+02  0.444692D+02 -0.571510D+00  0.216338D+02
      6   0.453884D+01  0.199263D+01  0.410089D+01  0.864461D+00  0.557527D+00
               166           167           168           169           170 
      1   0.136522D+02 -0.106067D+02  0.127652D+00 -0.122802D+02 -0.347506D+01
      2  -0.818055D+01  0.301515D+01  0.239951D+00  0.386643D+01  0.205954D+01
      3  -0.547164D+01  0.759158D+01 -0.367603D+00  0.841379D+01  0.141552D+01
      4   0.239227D+01 -0.203504D+01  0.972015D+01 -0.302550D+01  0.473489D+01
      5   0.526026D+01  0.888836D+01 -0.506549D+00  0.920727D+01 -0.838039D+00
      6   0.264665D+01  0.387946D+00  0.116825D+02 -0.244151D+01  0.100878D+02
               171           172           173           174           175 
      1  -0.373166D+02 -0.599114D+02 -0.220792D+01  0.226301D+01 -0.877644D+01
      2  -0.950005D+01  0.382786D+02  0.131180D+01  0.880331D+01  0.672378D+01
      3   0.468166D+02  0.216328D+02  0.896126D+00 -0.110663D+02  0.205266D+01
      4  -0.206311D+01 -0.436875D+01 -0.405981D+01  0.645897D+00  0.322933D+00
      5   0.389351D+02 -0.321058D+02  0.105608D+01 -0.202354D+02 -0.355115D+01
      6  -0.847757D+00 -0.314039D+01 -0.309965D+01  0.205796D+00 -0.824350D+00
               176           177           178           179           180 
      1  -0.411898D+01  0.612786D+00 -0.189105D+02 -0.119927D+01 -0.114002D+02
      2   0.216553D+01  0.138894D+01  0.179348D+02  0.119858D+01  0.678887D+01
      3   0.195345D+01 -0.200173D+01  0.975731D+00  0.687853D-03  0.461134D+01
      4  -0.499076D+00  0.297855D+01 -0.197930D+01 -0.100290D+01 -0.829151D-01
      5   0.276928D+01 -0.297301D+01 -0.179103D+02  0.233387D+00 -0.640118D+01
      6  -0.109858D+01  0.304970D+01 -0.900189D+00  0.583008D+00 -0.116687D+01
               181           182           183           184           185 
      1  -0.567823D+01 -0.543169D+02  0.827422D+01  0.955495D+02  0.265627D+02
      2   0.591886D+01  0.379430D+02 -0.328674D+01 -0.656768D+02 -0.216532D+02
      3  -0.240628D+00  0.163739D+02 -0.498748D+01 -0.298727D+02 -0.490954D+01
      4  -0.185532D+02  0.462918D+02  0.357455D+01  0.252405D+02 -0.292433D+02
      5   0.124113D+02  0.441774D+01  0.158771D+02 -0.506496D+01  0.681656D+01
      6   0.595678D+01  0.143474D+01  0.118316D+02  0.418460D+01  0.458706D+01
               186           187           188           189           190 
      1  -0.934792D+01 -0.409845D+01  0.732362D+01  0.658513D+00  0.120015D+03
      2   0.783329D+01  0.749182D+01 -0.232291D+01 -0.889924D+01 -0.663229D+02
      3   0.151464D+01 -0.339337D+01 -0.500071D+01  0.824073D+01 -0.536919D+02
      4   0.363526D+01  0.705890D+01  0.239276D+01  0.176709D+02  0.120459D+02
      5   0.115751D+02  0.285107D+02  0.179551D+02 -0.833604D+01  0.115943D+01
      6   0.323984D+01  0.163338D+02  0.939119D+01 -0.393635D+01  0.256388D+01
               191           192           193           194           195 
      1   0.308096D+02 -0.103323D+02 -0.290743D+02 -0.205390D+02  0.785467D+01
      2  -0.191106D+02  0.245452D+01  0.277783D+02  0.247943D+02 -0.897745D+01
      3  -0.116990D+02  0.787782D+01  0.129600D+01 -0.425533D+01  0.112278D+01
      4   0.310142D+02 -0.428679D+01 -0.218835D+02  0.560219D+02 -0.323514D+01
      5  -0.572348D+01  0.693713D+01  0.834713D+01 -0.785771D+01 -0.182918D+01
      6   0.311968D+01 -0.450031D+01  0.100859D+01 -0.345218D+01 -0.515305D+01
               196           197           198           199           200 
      1   0.226066D+01  0.233639D+01  0.273382D+02 -0.111951D+03 -0.144647D+02
      2  -0.133582D+01 -0.229295D+01 -0.242428D+02  0.497943D+02  0.808633D+01
      3  -0.924840D+00 -0.434413D-01 -0.309545D+01  0.621568D+02  0.637838D+01
      4   0.663664D+01 -0.854965D+01  0.870392D+00 -0.201862D+02 -0.308335D+02
      5   0.563035D+02  0.668901D+01 -0.682827D+01  0.146763D+02  0.226077D+01
      6  -0.127624D+01  0.425174D+01  0.343308D+01 -0.263562D+01  0.155081D+01
               201           202           203           204           205 
      1   0.978378D+01 -0.835703D+02 -0.956571D+01  0.523403D+01  0.207703D+02
      2  -0.488683D+01  0.539784D+02 -0.849341D+01 -0.150655D+01 -0.126689D+02
      3  -0.489695D+01  0.295919D+02  0.180591D+02 -0.372748D+01 -0.810140D+01
      4   0.186435D+01 -0.608207D+01 -0.196386D+02 -0.102227D+01 -0.147669D-01
      5   0.398357D+01  0.591505D+01  0.709442D+00 -0.125343D+02  0.466893D+01
      6   0.107255D+00 -0.405317D+01  0.429491D+01  0.722534D+01 -0.425846D+01
               206           207           208           209           210 
      1  -0.360458D+01 -0.191467D+02  0.948442D+01 -0.328485D+02  0.666975D+01
      2   0.575894D+01  0.264777D+01 -0.600495D+01  0.184543D+02  0.853258D+00
      3  -0.215436D+01  0.164990D+02 -0.347947D+01  0.143942D+02 -0.752301D+01
      4   0.189769D+01 -0.260427D+02 -0.288900D+02  0.650891D+01  0.520729D+01
      5  -0.277376D+02  0.101567D+02 -0.547729D+00  0.507600D+01  0.259151D+02
      6   0.164559D+02 -0.404272D+00  0.930197D+00 -0.285298D+01  0.431937D+01
               211           212           213           214           215 
      1   0.799782D+01  0.169979D+02  0.518948D+00 -0.305449D+00  0.103571D+01
      2  -0.949255D+01 -0.653908D+01  0.279706D+01  0.113749D+01 -0.197590D+00
      3   0.149473D+01 -0.104588D+02 -0.331601D+01 -0.832040D+00 -0.838117D+00
      4   0.452666D+02 -0.146681D+02 -0.131449D+01 -0.201435D+01 -0.903437D-01
      5  -0.146809D+01  0.123634D+01  0.129193D+02  0.638179D+01 -0.659560D+01
      6  -0.116410D+01  0.220147D+01  0.840726D+01 -0.378376D+01  0.409550D+01
               216           217           218           219           220 
      1  -0.992153D+00 -0.504429D+02  0.536258D+02 -0.237228D+01  0.419957D+02
      2   0.133864D+01  0.284795D+02 -0.289496D+02 -0.444114D+00 -0.190955D+02
      3  -0.346488D+00  0.219634D+02 -0.246762D+02  0.281639D+01 -0.229002D+02
      4  -0.753139D+01  0.535625D+02 -0.749500D+00 -0.143888D+02 -0.429380D+02
      5  -0.396794D+01 -0.186751D+01 -0.151481D+02 -0.863402D+01 -0.152289D+02
      6  -0.144972D+01 -0.633053D+01 -0.863736D+00 -0.109614D+01 -0.125196D+01
               221           222           223           224           225 
      1  -0.154816D+02 -0.207842D+02 -0.667999D+01 -0.175216D+02 -0.233766D+01
      2   0.743703D+01  0.872503D+00 -0.278849D+01  0.226830D+01  0.423334D+01
      3   0.804455D+01  0.199117D+02  0.946848D+01  0.152533D+02 -0.189568D+01
      4  -0.252856D+02 -0.994203D+01 -0.143775D+02 -0.110288D+02 -0.520950D+02
      5  -0.112019D+02 -0.782656D+02 -0.336428D+02 -0.540883D+02  0.248405D+02
      6  -0.136753D+01 -0.161267D+02 -0.132525D+02 -0.125602D+02  0.843987D+01
               226           227           228           229           230 
      1  -0.487817D+01  0.148047D+02 -0.492662D+00  0.465027D+01 -0.513774D+02
      2   0.621692D+01 -0.146185D+02  0.574067D+00 -0.401824D+01  0.638855D+02
      3  -0.133875D+01 -0.186190D+00 -0.814044D-01 -0.632025D+00 -0.125081D+02
      4   0.175220D+01  0.477327D+01 -0.844092D+00  0.269154D+01  0.197866D+02
      5   0.199529D+00 -0.117712D+01  0.142149D+01 -0.194681D+00  0.111020D+01
      6  -0.262924D+00 -0.322778D+00 -0.127423D+01  0.313831D+00 -0.326322D+01
               231           232           233           234           235 
      1   0.412028D+01  0.366996D+00  0.317781D+01 -0.163066D+01  0.410845D+02
      2  -0.416568D+01 -0.281544D+00 -0.430187D+01  0.213362D+01 -0.152106D+02
      3   0.454061D-01 -0.854515D-01  0.112406D+01 -0.502964D+00 -0.258738D+02
      4  -0.138632D+01 -0.620338D+00 -0.264489D+01 -0.145641D+01  0.336430D+02
      5   0.147914D+01  0.176923D+01 -0.992238D+00 -0.148352D+00 -0.819457D+01
      6   0.680419D+01 -0.332946D+00  0.254538D+01 -0.731341D+00 -0.327272D+01
               236           237           238           239           240 
      1   0.138629D+02 -0.561087D+01  0.172555D+02  0.763474D+01 -0.199740D+01
      2  -0.818220D+00  0.219164D+01  0.283532D+01  0.110377D+02 -0.615629D+00
      3  -0.130447D+02  0.341924D+01 -0.200908D+02 -0.186725D+02  0.261303D+01
      4   0.258837D+02 -0.558425D+01  0.392888D+02  0.408838D+02 -0.729961D+01
      5  -0.406633D+01  0.416273D+01 -0.628585D+01 -0.493146D+01  0.545253D+01
      6  -0.252935D+01  0.202321D+01 -0.423103D+01 -0.468208D+01  0.471550D+01
               241           242           243           244           245 
      1  -0.741514D+01 -0.247373D+01 -0.559505D+00  0.782257D+00 -0.633339D+01
      2   0.163390D+01 -0.705384D+00  0.123001D+01  0.511952D+01 -0.254547D+01
      3   0.578123D+01  0.317912D+01 -0.670506D+00 -0.590178D+01  0.887886D+01
      4  -0.841612D+01 -0.705290D+01  0.279742D+01 -0.204526D+02  0.221600D+02
      5  -0.830585D+00  0.162905D+01 -0.102790D+01  0.258816D+01 -0.142471D+01
      6  -0.589684D+00  0.179403D+01 -0.924710D+00 -0.812448D+00  0.691158D-01
               246           247           248           249           250 
      1   0.995252D+00 -0.273269D+01 -0.158233D+02  0.114469D+01  0.556635D+00
      2  -0.456495D+00 -0.979304D+01  0.341796D+02 -0.972557D+00  0.175965D+00
      3  -0.538757D+00  0.125257D+02 -0.183563D+02 -0.172130D+00 -0.732600D+00
      4  -0.315253D+00  0.300029D+02 -0.558557D+02  0.316491D+01 -0.949744D+00
      5   0.290606D+01 -0.302212D+01  0.649603D+01 -0.580498D+01  0.187675D+01
      6  -0.169774D+01  0.177141D+01 -0.336879D+01  0.623392D+01 -0.228776D+01
               251           252           253           254           255 
      1   0.235887D+01 -0.155459D+01  0.689164D+00  0.153925D+01 -0.130349D+02
      2  -0.254087D+01  0.270998D+01 -0.153550D+01 -0.638894D+00  0.486576D+01
      3   0.181996D+00 -0.115539D+01  0.846338D+00 -0.900361D+00  0.816913D+01
      4   0.350593D+01 -0.139878D+01 -0.385496D+00 -0.638239D+00 -0.158663D+01
      5  -0.541520D+00  0.169519D+00 -0.102571D+02 -0.960466D+00 -0.113857D+01
      6   0.283485D+01 -0.910218D+00 -0.174567D+01  0.395210D+00 -0.130415D+01
               256           257           258           259           260 
      1   0.123775D+02  0.372563D+01 -0.140057D+01 -0.358416D+02 -0.111375D+01
      2  -0.781019D+01 -0.142405D+01  0.336140D+01  0.258893D+02  0.395713D+01
      3  -0.456727D+01 -0.230158D+01 -0.196083D+01  0.995233D+01 -0.284338D+01
      4   0.230920D+02  0.250667D+02 -0.219041D+02 -0.172188D+02 -0.211266D+02
      5  -0.170474D+02 -0.214127D+02  0.364870D+02  0.461986D+02  0.333544D+02
      6  -0.615266D+01 -0.881027D+01  0.125147D+02  0.105425D+02  0.117874D+02
               261           262           263           264           265 
      1   0.558242D+01  0.203056D+02  0.828681D+01  0.136126D+02  0.318604D+02
      2  -0.182534D+02 -0.884739D+01 -0.292971D+01 -0.662945D+01 -0.123840D+02
      3   0.126710D+02 -0.114582D+02 -0.535710D+01 -0.698313D+01 -0.194765D+02
      4   0.322424D+02  0.102596D+02  0.777197D+01  0.804040D+01  0.399887D+02
      5  -0.725337D+02  0.169127D+02  0.770743D+01  0.373656D+01  0.227170D+02
      6  -0.158999D+02  0.338367D+01  0.946240D+00 -0.251228D+00  0.605325D+01
               266           267           268           269           270 
      1   0.169913D+02  0.114305D+02  0.493866D+02  0.142732D+02  0.129933D+02
      2  -0.103476D+01 -0.153724D+01 -0.240981D+02 -0.400878D+01 -0.877896D+01
      3  -0.159566D+02 -0.989328D+01 -0.252884D+02 -0.102644D+02 -0.421430D+01
      4   0.430518D+02  0.254198D+02  0.292487D+02  0.300535D+02  0.307109D+02
      5   0.268399D+02  0.328458D+02  0.375748D+02  0.327089D+02  0.426921D+02
      6   0.704910D+01  0.838738D+01  0.956533D+01  0.903122D+01  0.842888D+01
               271           272           273           274           275 
      1   0.188406D+03 -0.346631D+02 -0.123182D+02 -0.769833D+02  0.271260D+02
      2  -0.986336D+02  0.183493D+02  0.761761D+01  0.398942D+02 -0.128068D+02
      3  -0.897722D+02  0.163138D+02  0.470064D+01  0.370892D+02 -0.143192D+02
      4  -0.393275D+02  0.202139D+02  0.396138D+01  0.349936D+02 -0.229944D+02
      5  -0.168902D+02  0.420411D+01  0.173161D+02  0.844044D+01 -0.183524D+01
      6   0.352569D+01 -0.156163D+01 -0.707235D+00 -0.283377D+01  0.201872D+01
               276           277           278           279 
      1   0.629222D+01 -0.755543D+01  0.298089D+01  0.162069D+02
      2  -0.353919D+01  0.567421D+01 -0.130309D+01 -0.983238D+01
      3  -0.275303D+01  0.188122D+01 -0.167780D+01 -0.637456D+01
      4  -0.183672D+01  0.346711D+01  0.343632D+00 -0.564070D+00
      5  -0.628917D+01  0.247341D+02 -0.429936D+00 -0.595073D+01
      6   0.210060D+01 -0.123476D+01  0.269001D+01  0.280811D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:34:08 2021, MaxMem=  5368709120 cpu:           43155.8 elap:            5407.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19411 -19.19319 -19.13353 -10.31659 -10.26294
 Alpha  occ. eigenvalues --  -10.25215 -10.21695 -10.21259 -10.21220 -10.20922
 Alpha  occ. eigenvalues --  -10.20798 -10.20614 -10.20582 -10.20343 -10.20277
 Alpha  occ. eigenvalues --  -10.19496 -10.19340  -1.10915  -1.08819  -1.02825
 Alpha  occ. eigenvalues --   -0.89864  -0.85495  -0.81115  -0.79449  -0.75728
 Alpha  occ. eigenvalues --   -0.75191  -0.70798  -0.67550  -0.64405  -0.62399
 Alpha  occ. eigenvalues --   -0.61902  -0.60498  -0.55207  -0.53982  -0.53346
 Alpha  occ. eigenvalues --   -0.51359  -0.48849  -0.48672  -0.47170  -0.46775
 Alpha  occ. eigenvalues --   -0.46145  -0.45334  -0.44143  -0.43762  -0.42443
 Alpha  occ. eigenvalues --   -0.41520  -0.41420  -0.40929  -0.39358  -0.38263
 Alpha  occ. eigenvalues --   -0.37446  -0.37044  -0.35910  -0.35627  -0.34136
 Alpha  occ. eigenvalues --   -0.32543  -0.32187  -0.30394  -0.27568  -0.25514
 Alpha  occ. eigenvalues --   -0.22488
 Alpha virt. eigenvalues --   -0.06366  -0.03064  -0.01959  -0.01328  -0.00769
 Alpha virt. eigenvalues --   -0.00443  -0.00089   0.00900   0.01047   0.01491
 Alpha virt. eigenvalues --    0.01751   0.02195   0.02667   0.02987   0.03611
 Alpha virt. eigenvalues --    0.04382   0.05154   0.05370   0.05851   0.06336
 Alpha virt. eigenvalues --    0.06530   0.06698   0.07086   0.07592   0.07936
 Alpha virt. eigenvalues --    0.08048   0.08195   0.08324   0.08605   0.09047
 Alpha virt. eigenvalues --    0.09444   0.09567   0.09648   0.10173   0.10725
 Alpha virt. eigenvalues --    0.10909   0.11039   0.11508   0.11580   0.12153
 Alpha virt. eigenvalues --    0.12440   0.12519   0.12854   0.13137   0.13322
 Alpha virt. eigenvalues --    0.13547   0.14080   0.14216   0.14369   0.14737
 Alpha virt. eigenvalues --    0.15064   0.15632   0.15947   0.16452   0.17057
 Alpha virt. eigenvalues --    0.17427   0.17798   0.18360   0.18621   0.18797
 Alpha virt. eigenvalues --    0.19329   0.19488   0.19539   0.20175   0.20458
 Alpha virt. eigenvalues --    0.20519   0.20688   0.21669   0.22101   0.22304
 Alpha virt. eigenvalues --    0.22656   0.23153   0.23411   0.23715   0.23923
 Alpha virt. eigenvalues --    0.24226   0.24589   0.25074   0.25469   0.25719
 Alpha virt. eigenvalues --    0.25838   0.26263   0.26462   0.26930   0.27215
 Alpha virt. eigenvalues --    0.27630   0.27824   0.28041   0.28373   0.28673
 Alpha virt. eigenvalues --    0.29001   0.29311   0.29679   0.30004   0.30237
 Alpha virt. eigenvalues --    0.30837   0.30922   0.31327   0.31750   0.32116
 Alpha virt. eigenvalues --    0.32454   0.32624   0.32839   0.33429   0.33556
 Alpha virt. eigenvalues --    0.34190   0.34455   0.34798   0.35282   0.35424
 Alpha virt. eigenvalues --    0.36024   0.36113   0.36242   0.36971   0.37328
 Alpha virt. eigenvalues --    0.38147   0.38568   0.38703   0.38961   0.39404
 Alpha virt. eigenvalues --    0.39593   0.40214   0.40885   0.41905   0.42024
 Alpha virt. eigenvalues --    0.42424   0.42704   0.43236   0.44339   0.44652
 Alpha virt. eigenvalues --    0.45313   0.45583   0.46046   0.46400   0.46831
 Alpha virt. eigenvalues --    0.47181   0.47563   0.48338   0.48779   0.49540
 Alpha virt. eigenvalues --    0.49916   0.50644   0.50891   0.51041   0.51423
 Alpha virt. eigenvalues --    0.51544   0.52077   0.52664   0.53118   0.53722
 Alpha virt. eigenvalues --    0.54037   0.54517   0.54842   0.55198   0.55804
 Alpha virt. eigenvalues --    0.56230   0.56488   0.57080   0.57588   0.58106
 Alpha virt. eigenvalues --    0.58503   0.58611   0.58986   0.59820   0.60043
 Alpha virt. eigenvalues --    0.60432   0.60697   0.61514   0.61819   0.62012
 Alpha virt. eigenvalues --    0.62286   0.63282   0.63323   0.63742   0.64127
 Alpha virt. eigenvalues --    0.64823   0.65057   0.65596   0.65953   0.66042
 Alpha virt. eigenvalues --    0.66664   0.66821   0.67167   0.67587   0.68036
 Alpha virt. eigenvalues --    0.68456   0.69589   0.69919   0.70399   0.71014
 Alpha virt. eigenvalues --    0.71404   0.72508   0.72852   0.73296   0.73412
 Alpha virt. eigenvalues --    0.73917   0.74155   0.74609   0.74801   0.75363
 Alpha virt. eigenvalues --    0.75996   0.76143   0.76576   0.77121   0.77401
 Alpha virt. eigenvalues --    0.77683   0.78580   0.79358   0.79487   0.80705
 Alpha virt. eigenvalues --    0.81027   0.81909   0.82670   0.83244   0.83840
 Alpha virt. eigenvalues --    0.84163   0.84910   0.85192   0.85634   0.86002
 Alpha virt. eigenvalues --    0.86894   0.88231   0.88691   0.88919   0.89835
 Alpha virt. eigenvalues --    0.91893   0.92437   0.93216   0.93287   0.93633
 Alpha virt. eigenvalues --    0.94567   0.96418   0.97710   0.98046   0.98829
 Alpha virt. eigenvalues --    1.00213   1.00791   1.01738   1.02342   1.03596
 Alpha virt. eigenvalues --    1.04334   1.05502   1.06746   1.07025   1.08583
 Alpha virt. eigenvalues --    1.08911   1.10087   1.10378   1.11930   1.13634
 Alpha virt. eigenvalues --    1.13923   1.14739   1.16421   1.16889   1.17931
 Alpha virt. eigenvalues --    1.18898   1.19726   1.20398   1.21172   1.21839
 Alpha virt. eigenvalues --    1.22407   1.23527   1.24485   1.26011   1.27534
 Alpha virt. eigenvalues --    1.28351   1.29036   1.30257   1.31743   1.32310
 Alpha virt. eigenvalues --    1.32352   1.33359   1.33568   1.35228   1.36890
 Alpha virt. eigenvalues --    1.37590   1.37733   1.38500   1.38862   1.40912
 Alpha virt. eigenvalues --    1.41422   1.42162   1.42812   1.43315   1.44520
 Alpha virt. eigenvalues --    1.44768   1.45717   1.45944   1.46287   1.47392
 Alpha virt. eigenvalues --    1.48491   1.49067   1.50501   1.51130   1.51288
 Alpha virt. eigenvalues --    1.51487   1.52696   1.54171   1.54600   1.55205
 Alpha virt. eigenvalues --    1.55788   1.56849   1.57969   1.58453   1.58891
 Alpha virt. eigenvalues --    1.59734   1.60691   1.61530   1.61913   1.62393
 Alpha virt. eigenvalues --    1.63581   1.63999   1.64464   1.64644   1.65988
 Alpha virt. eigenvalues --    1.66314   1.67929   1.68384   1.69212   1.69705
 Alpha virt. eigenvalues --    1.70983   1.72066   1.72774   1.73345   1.74307
 Alpha virt. eigenvalues --    1.75561   1.76548   1.77174   1.78188   1.78537
 Alpha virt. eigenvalues --    1.79419   1.80625   1.81514   1.83694   1.84141
 Alpha virt. eigenvalues --    1.84860   1.85162   1.87198   1.87890   1.88934
 Alpha virt. eigenvalues --    1.89123   1.89768   1.90213   1.90661   1.91779
 Alpha virt. eigenvalues --    1.93238   1.94312   1.94835   1.95712   1.97144
 Alpha virt. eigenvalues --    1.97620   1.97881   1.98505   1.98933   1.99705
 Alpha virt. eigenvalues --    2.00718   2.01839   2.02639   2.03075   2.04072
 Alpha virt. eigenvalues --    2.04637   2.05628   2.06597   2.06954   2.08242
 Alpha virt. eigenvalues --    2.08431   2.10136   2.11061   2.11805   2.12916
 Alpha virt. eigenvalues --    2.13229   2.13842   2.15516   2.15884   2.16819
 Alpha virt. eigenvalues --    2.18486   2.20234   2.21148   2.21912   2.22813
 Alpha virt. eigenvalues --    2.23757   2.25283   2.26246   2.27691   2.29406
 Alpha virt. eigenvalues --    2.30665   2.31515   2.32556   2.34043   2.35309
 Alpha virt. eigenvalues --    2.36588   2.37790   2.39462   2.40555   2.41837
 Alpha virt. eigenvalues --    2.42267   2.43266   2.46641   2.48612   2.50094
 Alpha virt. eigenvalues --    2.51834   2.53821   2.54622   2.57997   2.59036
 Alpha virt. eigenvalues --    2.60452   2.62111   2.63841   2.63991   2.66944
 Alpha virt. eigenvalues --    2.69624   2.71133   2.71932   2.73304   2.75799
 Alpha virt. eigenvalues --    2.77864   2.79809   2.82487   2.84030   2.87827
 Alpha virt. eigenvalues --    2.90474   2.93445   2.96858   2.97920   3.02270
 Alpha virt. eigenvalues --    3.06974   3.17538   3.17888   3.28392   3.34317
 Alpha virt. eigenvalues --    3.37172   3.37754   3.38883   3.39940   3.40813
 Alpha virt. eigenvalues --    3.41945   3.44644   3.46198   3.47431   3.49914
 Alpha virt. eigenvalues --    3.50416   3.51060   3.54811   3.59038   3.65046
 Alpha virt. eigenvalues --    3.70036   3.72007   3.78287   3.81777   3.87981
 Alpha virt. eigenvalues --    4.01868   4.36472   4.59886
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   50.596737 -13.714944  -8.664717   2.102551  -2.781908   0.972114
     2  C  -13.714944  48.365528   0.828868  -0.959072   4.979485 -10.141514
     3  C   -8.664717   0.828868  40.262020 -15.017915   0.496283  -4.187888
     4  C    2.102551  -0.959072 -15.017915  29.267186 -10.924854   5.079727
     5  C   -2.781908   4.979485   0.496283 -10.924854  39.821557 -21.662083
     6  C    0.972114 -10.141514  -4.187888   5.079727 -21.662083  42.205691
     7  C  -11.751014  -5.507299  -1.274308  -3.855479  -0.302742   0.026316
     8  H    1.394147  -0.702269  -5.651130   1.354170   0.597216  -0.302536
     9  H    0.002927  -0.779423  -0.201989   1.314274  -4.805318   3.042604
    10  H   -0.931805   1.119506   0.041454  -0.823993   3.259976  -5.230742
    11  C    0.781809  -0.739328  -1.611643  -2.130485  -2.834532  -0.187706
    12  C   -0.046050   0.065159  -0.287445  -0.174715  -0.172801  -0.002000
    13  C    0.041952  -0.047905  -0.660782   0.004140  -0.154353  -0.003339
    14  H   -0.117138  -0.051408   0.204711  -0.090690   0.153298   0.084822
    15  H    0.073463  -0.008762   0.008130  -0.747737  -0.081391   0.039299
    16  H   -0.074658  -0.012928   0.437724  -0.424875  -0.050703   0.054244
    17  H   -0.035934   0.026064  -0.186881   0.750641   0.055167  -0.039497
    18  O   -0.014006   0.012049   0.051686   0.025406   0.037338  -0.008730
    19  O   -0.003954   0.025532   0.035673  -0.120102  -0.009053  -0.012000
    20  H   -0.008178  -0.050684   0.043939   0.028693  -0.111687   0.070835
    21  C    1.975111 -12.630332  -0.328452   0.485789   0.308931  -0.915632
    22  C  -11.041880   0.753950  -0.810156   0.341294   0.286777   0.343248
    23  C   -5.624643  -7.233064  -0.151483  -0.302035  -0.048642  -5.491793
    24  O    0.315798  -0.286558   0.006744   0.024722  -0.057425  -0.068340
    25  C   -0.039284   0.082178  -0.030876   0.027378  -0.016512   0.030529
    26  H    2.581390  -1.039338   0.238422   0.320417  -0.015715  -0.063248
    27  H   -0.396177   0.212067  -0.255489   0.003450   0.031535   0.032648
    28  H   -0.555053   1.829827  -0.092785   0.100418   0.108116   0.743967
    29  H   -0.025224  -0.109401   0.000003  -0.002940   0.001844   0.009157
    30  H   -0.021705  -0.111890   0.000989  -0.001855   0.000403   0.010466
    31  H    0.016751   0.199387  -0.002595   0.004943  -0.005665  -0.012642
               7          8          9         10         11         12
     1  C  -11.751014   1.394147   0.002927  -0.931805   0.781809  -0.046050
     2  C   -5.507299  -0.702269  -0.779423   1.119506  -0.739328   0.065159
     3  C   -1.274308  -5.651130  -0.201989   0.041454  -1.611643  -0.287445
     4  C   -3.855479   1.354170   1.314274  -0.823993  -2.130485  -0.174715
     5  C   -0.302742   0.597216  -4.805318   3.259976  -2.834532  -0.172801
     6  C    0.026316  -0.302536   3.042604  -5.230742  -0.187706  -0.002000
     7  C   52.380744   0.789736   0.120664  -0.381110  -0.136187  -0.012018
     8  H    0.789736   5.244906  -0.070180   0.017186  -0.044572   0.160445
     9  H    0.120664  -0.070180   4.112412  -0.359224  -0.047119   0.040380
    10  H   -0.381110   0.017186  -0.359224   3.860974   0.039097   0.004580
    11  C   -0.136187  -0.044572  -0.047119   0.039097  15.524883  -0.149674
    12  C   -0.012018   0.160445   0.040380   0.004580  -0.149674   5.172823
    13  C   -0.017271   0.118068   0.007381   0.002063  -0.970503  -0.129593
    14  H    0.019989   0.012716  -0.064079   0.005751  -1.461065   0.145446
    15  H   -0.030264  -0.094652   0.004196   0.000410   0.992892  -0.186906
    16  H   -0.027485  -0.145182   0.002635   0.001213  -0.324348   0.408427
    17  H    0.010838   0.043423   0.002152  -0.000426  -0.186815  -0.160281
    18  O   -0.002996   0.001642  -0.003960   0.000225  -0.130146   0.097661
    19  O   -0.009801  -0.003464   0.001604   0.000127   0.160103   0.049211
    20  H    0.027813  -0.034525   0.008726  -0.003261   0.002495  -0.031756
    21  C  -10.023912   0.056298  -0.030059   0.162700   0.143251  -0.008396
    22  C    1.821157   0.073538   0.023294   0.167985   0.005920   0.008136
    23  C  -11.865145  -0.107489  -0.146982   1.378670  -0.414721   0.009242
    24  O   -0.132607  -0.000831  -0.000004  -0.008031   0.000711  -0.000058
    25  C   -0.090006  -0.001202  -0.000210  -0.001066   0.001702   0.000012
    26  H   -5.499258  -0.433331   0.007841  -0.002057   0.070947  -0.010307
    27  H    1.015396   0.029400  -0.002680   0.004911  -0.001046   0.000101
    28  H    0.259854   0.002865   0.000080  -0.257140   0.003382  -0.000571
    29  H    0.122363  -0.000137   0.000134  -0.001139  -0.000021  -0.000025
    30  H    0.117466  -0.000751   0.000122  -0.001186  -0.000133   0.000004
    31  H   -0.096481  -0.000352  -0.000154   0.002236   0.000209   0.000017
              13         14         15         16         17         18
     1  C    0.041952  -0.117138   0.073463  -0.074658  -0.035934  -0.014006
     2  C   -0.047905  -0.051408  -0.008762  -0.012928   0.026064   0.012049
     3  C   -0.660782   0.204711   0.008130   0.437724  -0.186881   0.051686
     4  C    0.004140  -0.090690  -0.747737  -0.424875   0.750641   0.025406
     5  C   -0.154353   0.153298  -0.081391  -0.050703   0.055167   0.037338
     6  C   -0.003339   0.084822   0.039299   0.054244  -0.039497  -0.008730
     7  C   -0.017271   0.019989  -0.030264  -0.027485   0.010838  -0.002996
     8  H    0.118068   0.012716  -0.094652  -0.145182   0.043423   0.001642
     9  H    0.007381  -0.064079   0.004196   0.002635   0.002152  -0.003960
    10  H    0.002063   0.005751   0.000410   0.001213  -0.000426   0.000225
    11  C   -0.970503  -1.461065   0.992892  -0.324348  -0.186815  -0.130146
    12  C   -0.129593   0.145446  -0.186906   0.408427  -0.160281   0.097661
    13  C    7.435867   0.126422   0.043666  -0.045267   0.030818  -0.020456
    14  H    0.126422   2.440793  -0.030923   0.138198  -0.095308   0.078256
    15  H    0.043666  -0.030923   2.135435  -0.274338  -0.535173  -0.002520
    16  H   -0.045267   0.138198  -0.274338   1.885144  -0.542086   0.025564
    17  H    0.030818  -0.095308  -0.535173  -0.542086   2.293473  -0.008219
    18  O   -0.020456   0.078256  -0.002520   0.025564  -0.008219   8.491316
    19  O   -0.404848   0.034076   0.001834   0.047414  -0.025083  -0.048650
    20  H   -0.004998   0.005303   0.005073  -0.001252  -0.000525   0.005485
    21  C    0.014950   0.006307  -0.012409   0.003645   0.003277  -0.000455
    22  C    0.002987  -0.001665   0.003100  -0.003207  -0.000391  -0.000183
    23  C   -0.041255  -0.020925  -0.001943  -0.000900   0.001661   0.002897
    24  O   -0.000085  -0.000013   0.000035   0.000092  -0.000019   0.000000
    25  C    0.000044   0.000053   0.000085   0.000051  -0.000011  -0.000001
    26  H   -0.000595  -0.002035   0.005802   0.002911  -0.000855  -0.000271
    27  H   -0.000647  -0.000020  -0.000358  -0.000220   0.000117   0.000036
    28  H    0.000873   0.000469  -0.000387  -0.000509   0.000257   0.000007
    29  H    0.000024   0.000001   0.000004  -0.000016  -0.000002  -0.000000
    30  H    0.000046  -0.000002  -0.000007  -0.000014   0.000003  -0.000001
    31  H   -0.000002   0.000005   0.000012   0.000016  -0.000001  -0.000000
              19         20         21         22         23         24
     1  C   -0.003954  -0.008178   1.975111 -11.041880  -5.624643   0.315798
     2  C    0.025532  -0.050684 -12.630332   0.753950  -7.233064  -0.286558
     3  C    0.035673   0.043939  -0.328452  -0.810156  -0.151483   0.006744
     4  C   -0.120102   0.028693   0.485789   0.341294  -0.302035   0.024722
     5  C   -0.009053  -0.111687   0.308931   0.286777  -0.048642  -0.057425
     6  C   -0.012000   0.070835  -0.915632   0.343248  -5.491793  -0.068340
     7  C   -0.009801   0.027813 -10.023912   1.821157 -11.865145  -0.132607
     8  H   -0.003464  -0.034525   0.056298   0.073538  -0.107489  -0.000831
     9  H    0.001604   0.008726  -0.030059   0.023294  -0.146982  -0.000004
    10  H    0.000127  -0.003261   0.162700   0.167985   1.378670  -0.008031
    11  C    0.160103   0.002495   0.143251   0.005920  -0.414721   0.000711
    12  C    0.049211  -0.031756  -0.008396   0.008136   0.009242  -0.000058
    13  C   -0.404848  -0.004998   0.014950   0.002987  -0.041255  -0.000085
    14  H    0.034076   0.005303   0.006307  -0.001665  -0.020925  -0.000013
    15  H    0.001834   0.005073  -0.012409   0.003100  -0.001943   0.000035
    16  H    0.047414  -0.001252   0.003645  -0.003207  -0.000900   0.000092
    17  H   -0.025083  -0.000525   0.003277  -0.000391   0.001661  -0.000019
    18  O   -0.048650   0.005485  -0.000455  -0.000183   0.002897   0.000000
    19  O    8.557565   0.138593  -0.005244   0.003734  -0.003825  -0.000011
    20  H    0.138593   0.765909  -0.003641   0.004352  -0.018858   0.000039
    21  C   -0.005244  -0.003641  28.989602  -4.691215   2.287592   1.070671
    22  C    0.003734   0.004352  -4.691215  24.651028  -6.116666  -1.521036
    23  C   -0.003825  -0.018858   2.287592  -6.116666  43.698812   0.262511
    24  O   -0.000011   0.000039   1.070671  -1.521036   0.262511   9.480067
    25  C    0.000023   0.000096  -0.032343   0.105090  -0.206016   0.170599
    26  H    0.000107   0.001016   2.524243  -0.556741   0.212438   0.007348
    27  H   -0.000060  -0.000368  -3.394671   1.099620   0.032664  -0.172639
    28  H   -0.000133   0.000470  -0.360715   1.110605  -4.300737  -0.134762
    29  H    0.000004   0.000014   0.161099  -0.445056   0.187897   0.182127
    30  H    0.000000   0.000023   0.181421  -0.468674   0.189697   0.187055
    31  H    0.000003   0.000011  -0.351638   1.073875  -0.470042  -0.649748
              25         26         27         28         29         30
     1  C   -0.039284   2.581390  -0.396177  -0.555053  -0.025224  -0.021705
     2  C    0.082178  -1.039338   0.212067   1.829827  -0.109401  -0.111890
     3  C   -0.030876   0.238422  -0.255489  -0.092785   0.000003   0.000989
     4  C    0.027378   0.320417   0.003450   0.100418  -0.002940  -0.001855
     5  C   -0.016512  -0.015715   0.031535   0.108116   0.001844   0.000403
     6  C    0.030529  -0.063248   0.032648   0.743967   0.009157   0.010466
     7  C   -0.090006  -5.499258   1.015396   0.259854   0.122363   0.117466
     8  H   -0.001202  -0.433331   0.029400   0.002865  -0.000137  -0.000751
     9  H   -0.000210   0.007841  -0.002680   0.000080   0.000134   0.000122
    10  H   -0.001066  -0.002057   0.004911  -0.257140  -0.001139  -0.001186
    11  C    0.001702   0.070947  -0.001046   0.003382  -0.000021  -0.000133
    12  C    0.000012  -0.010307   0.000101  -0.000571  -0.000025   0.000004
    13  C    0.000044  -0.000595  -0.000647   0.000873   0.000024   0.000046
    14  H    0.000053  -0.002035  -0.000020   0.000469   0.000001  -0.000002
    15  H    0.000085   0.005802  -0.000358  -0.000387   0.000004  -0.000007
    16  H    0.000051   0.002911  -0.000220  -0.000509  -0.000016  -0.000014
    17  H   -0.000011  -0.000855   0.000117   0.000257  -0.000002   0.000003
    18  O   -0.000001  -0.000271   0.000036   0.000007  -0.000000  -0.000001
    19  O    0.000023   0.000107  -0.000060  -0.000133   0.000004   0.000000
    20  H    0.000096   0.001016  -0.000368   0.000470   0.000014   0.000023
    21  C   -0.032343   2.524243  -3.394671  -0.360715   0.161099   0.181421
    22  C    0.105090  -0.556741   1.099620   1.110605  -0.445056  -0.468674
    23  C   -0.206016   0.212438   0.032664  -4.300737   0.187897   0.189697
    24  O    0.170599   0.007348  -0.172639  -0.134762   0.182127   0.187055
    25  C    4.026499   0.020393  -0.062142   0.048730   0.323849   0.331372
    26  H    0.020393   4.200084  -0.424855   0.014430   0.005756   0.007608
    27  H   -0.062142  -0.424855   4.686975  -0.055287  -0.098449  -0.108218
    28  H    0.048730   0.014430  -0.055287   3.576503   0.015506   0.014358
    29  H    0.323849   0.005756  -0.098449   0.015506   1.659456  -0.141779
    30  H    0.331372   0.007608  -0.108218   0.014358  -0.141779   1.658360
    31  H   -0.035812  -0.001911   0.056656  -0.023935  -0.631150  -0.631569
              31
     1  C    0.016751
     2  C    0.199387
     3  C   -0.002595
     4  C    0.004943
     5  C   -0.005665
     6  C   -0.012642
     7  C   -0.096481
     8  H   -0.000352
     9  H   -0.000154
    10  H    0.002236
    11  C    0.000209
    12  C    0.000017
    13  C   -0.000002
    14  H    0.000005
    15  H    0.000012
    16  H    0.000016
    17  H   -0.000001
    18  O   -0.000000
    19  O    0.000003
    20  H    0.000011
    21  C   -0.351638
    22  C    1.073875
    23  C   -0.470042
    24  O   -0.649748
    25  C   -0.035812
    26  H   -0.001911
    27  H    0.056656
    28  H   -0.023935
    29  H   -0.631150
    30  H   -0.631569
    31  H    3.184362
 Mulliken charges:
               1
     1  C    0.993524
     2  C    1.626520
     3  C    2.759889
     4  C    0.341549
     5  C   -0.102538
     6  C    1.584025
     7  C    0.303048
     8  H   -1.303152
     9  H   -1.180048
    10  H   -1.067882
    11  C   -0.357357
    12  C    1.210951
    13  C    0.672598
    14  H   -0.521345
    15  H   -0.305664
    16  H   -0.079291
    17  H   -0.400383
    18  O   -0.588973
    19  O   -0.409376
    20  H    0.160848
    21  C    0.414230
    22  C   -0.222821
    23  C    0.303082
    24  O   -0.676352
    25  C    1.346799
    26  H   -1.170635
    27  H   -1.232249
    28  H   -1.048705
    29  H   -0.213895
    30  H   -0.211612
    31  H   -0.624784
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.993524
     2  C    1.626520
     3  C    1.456737
     4  C    0.341549
     5  C   -1.282585
     6  C    0.516143
     7  C   -0.867586
    11  C   -0.878703
    12  C    0.425612
    13  C    0.672598
    18  O   -0.588973
    19  O   -0.248528
    21  C   -0.818019
    22  C   -0.222821
    23  C   -0.745624
    24  O   -0.676352
    25  C    0.296508
 Electronic spatial extent (au):  <R**2>=           5532.6308
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8393    Y=             -2.0383    Z=             -1.7482  Tot=              6.4271
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -113.7185   YY=            -92.7491   ZZ=           -105.8891
   XY=              1.6492   XZ=            -13.1756   YZ=             -2.1622
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5996   YY=             11.3698   ZZ=             -1.7702
   XY=              1.6492   XZ=            -13.1756   YZ=             -2.1622
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -260.8311  YYY=              5.6954  ZZZ=              4.9008  XYY=              2.2711
  XXY=            -52.5617  XXZ=            -36.7714  XZZ=             -6.4435  YZZ=             -1.3757
  YYZ=              0.7895  XYZ=             -0.6569
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6412.8895 YYYY=           -736.9092 ZZZZ=           -431.2808 XXXY=             31.3687
 XXXZ=           -284.6599 YYYX=              1.9344 YYYZ=            -12.1947 ZZZX=            -13.0844
 ZZZY=              4.5805 XXYY=          -1121.7679 XXZZ=          -1146.7898 YYZZ=           -209.5689
 XXYZ=            -25.5062 YYXZ=              3.4547 ZZXY=             -3.1733
 N-N= 1.134140262514D+03 E-N=-4.056196685826D+03  KE= 7.634320738962D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:34:08 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        8.2240    8.2229        7.6803    7.6818
 2     -8.2240   -8.2229        2.8124    2.8123      -72.6231  -72.6141
 3     -7.6803   -7.6818      100.8278  100.8214       -2.8175   -2.8123
 4     -2.8124   -2.8123        0.0000    0.0000       -7.6858   -7.6818
 5    -28.2047  -28.2072        7.6858    7.6818        8.2181    8.2229
 6      2.8175    2.8123       -8.2181   -8.2229        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -24.6688  -24.6688       23.0454   23.0454
 2     -8.4370   -8.4370       -0.0000    0.0000       23.0454   23.0454
 3     -8.4370   -8.4370      -24.6688  -24.6688       -0.0000    0.0000
 4    -24.6688  -24.6688        8.4370    8.4370     -217.8424 -217.8424
 5    -23.0454  -23.0454      302.4642  302.4642       -8.4369   -8.4370
 6    -84.6217  -84.6217       23.0455   23.0454       24.6688   24.6688
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0011    0.0000      -32.8071  -32.8917      -31.2242  -30.7272
 2     32.8574   32.8917      -11.0789  -11.2493      290.4202  290.4566
 3     30.8285   30.7272     -403.4277 -403.2855       11.0341   11.2493
 4     11.2812   11.2493        0.0453    0.0000       30.6961   30.7272
 5    112.9761  112.8290      -30.6465  -30.7272      -33.1371  -32.8917
 6    -11.2363  -11.2493       32.8795   32.8917        0.0843    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0523    0.0000       60.9787   60.7854      -55.8774  -55.3836
 2    -61.0108  -60.7854       70.9721   70.7126      -12.5260  -12.2402
 3     55.5688   55.3836      -66.6571  -66.8828      -70.2337  -70.7126
 4    -70.7431  -70.7126        0.0099    0.0000       55.6575   55.3836
 5     79.2160   79.1230      -55.1794  -55.3836       60.6335   60.7854
 6     71.1222   70.7126      -60.8497  -60.7854       -0.5572    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.6600  -19.9712       26.6311   26.5456       99.8723   99.2787
 2   -159.5714 -159.6866       71.6295   71.6235      100.1148   99.2787
 3   -159.6234 -159.6866       26.5819   26.5456      144.0002  143.2668
 4    -45.4528  -45.0779      139.9169  139.7154      -50.9513  -50.9821
 5     44.2721   43.9881      -74.4374  -74.6954     -138.6938 -139.7154
 6    125.4816  125.6775      -44.3001  -43.9881       44.6768   45.0779
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.7319                 1.2040                 2.6812
  Dep-P Fr= 1--      0.7495                 0.7166                 0.7462
  Dep-U Fr= 1--      0.8568                 0.8349                 0.8546
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0002
 Beta2  Fr= 1--      0.6757                 0.1675                 0.3819
 AlphaG Fr= 1--     -0.0003                -0.0141                 0.0045
 Gamma2 Fr= 1--     -4.2187                 2.1477                -1.1203
 Delta2 Fr= 1--     -2.2388                 0.9441                 0.1332
 Raman1 Fr= 1--      18.928                  4.816                 10.725
 ROA1   Fr= 1--    -476.634                236.387               -103.290
 CID1   Fr= 1--     -25.182                 49.084                 -9.631
 Raman2 Fr= 1--       8.109                  2.010                  4.583
 ROA2   Fr= 1--     -83.338                 43.991                -27.954
 CID2   Fr= 1--     -10.277                 21.881                 -6.100
 Raman3 Fr= 1--      16.218                  4.021                  9.166
 ROA3   Fr= 1--    -476.634                236.387               -103.290
 CID3   Fr= 1--     -29.389                 58.788                -11.269
 RC180  Fr= 1--       0.714                  0.670                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.6624                 1.1414                 2.1434
  Dep-P Fr= 1--      0.6905                 0.7493                 0.3606
  Dep-U Fr= 1--      0.8169                 0.8567                 0.5300
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0182
 Beta2  Fr= 1--      0.0902                 0.1630                 0.1893
 AlphaG Fr= 1--      0.0129                -0.0014                -0.0290
 Gamma2 Fr= 1--      0.2435                 1.5611                -1.5798
 Delta2 Fr= 1--     -0.1331                 0.7701                -0.8277
 Raman1 Fr= 1--       2.650                  4.566                  8.573
 ROA1   Fr= 1--      19.116                174.511               -178.146
 CID1   Fr= 1--       7.215                 38.222                -20.779
 Raman2 Fr= 1--       1.082                  1.956                  2.272
 ROA2   Fr= 1--       6.908                 31.307                -31.294
 CID2   Fr= 1--       6.383                 16.009                -13.773
 Raman3 Fr= 1--       2.164                  3.911                  4.544
 ROA3   Fr= 1--      19.116                174.511               -178.146
 CID3   Fr= 1--       8.832                 44.618                -39.203
 RC180  Fr= 1--       0.634                  0.713                  0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0748                 4.5585                 0.7361
  Dep-P Fr= 1--      0.7321                 0.4134                 0.6807
  Dep-U Fr= 1--      0.8454                 0.5849                 0.8100
 Alpha2 Fr= 1--      0.0000                 0.0322                 0.0009
 Beta2  Fr= 1--      0.0105                 0.4444                 0.0994
 AlphaG Fr= 1--     -0.0007                -0.0749                -0.0094
 Gamma2 Fr= 1--      0.2640                -1.4847                -0.6040
 Delta2 Fr= 1--     -0.0486                -0.3679                -0.1755
 Raman1 Fr= 1--       0.299                 18.234                  2.944
 ROA1   Fr= 1--      23.789               -154.301                -63.600
 CID1   Fr= 1--      79.522                 -8.462                -21.600
 Raman2 Fr= 1--       0.126                  5.333                  1.193
 ROA2   Fr= 1--       6.725                -32.689                -13.092
 CID2   Fr= 1--      53.185                 -6.130                -10.978
 Raman3 Fr= 1--       0.253                 10.666                  2.385
 ROA3   Fr= 1--      23.789               -154.301                -63.600
 CID3   Fr= 1--      94.069                -14.466                -26.665
 RC180  Fr= 1--       0.691                  0.170                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.9564                 0.6401                 1.4893
  Dep-P Fr= 1--      0.4555                 0.2807                 0.7246
  Dep-U Fr= 1--      0.6259                 0.4384                 0.8403
 Alpha2 Fr= 1--      0.0117                 0.0070                 0.0007
 Beta2  Fr= 1--      0.2041                 0.0468                 0.2086
 AlphaG Fr= 1--     -0.0520                 0.0167                 0.0098
 Gamma2 Fr= 1--      1.0692                 0.1170                 1.7472
 Delta2 Fr= 1--      0.0728                 0.1569                 0.3329
 Raman1 Fr= 1--       7.826                  2.560                  5.957
 ROA1   Fr= 1--     104.968                 16.254                178.382
 CID1   Fr= 1--      13.413                  6.348                 29.944
 Raman2 Fr= 1--       2.449                  0.561                  2.503
 ROA2   Fr= 1--      25.078                  1.553                 39.270
 CID2   Fr= 1--      10.239                  2.768                 15.690
 Raman3 Fr= 1--       4.898                  1.122                  5.006
 ROA3   Fr= 1--     104.968                 16.254                178.382
 CID3   Fr= 1--      21.429                 14.482                 35.635
 RC180  Fr= 1--       0.252                 -0.123                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     19.5415                 2.2300                 0.7781
  Dep-P Fr= 1--      0.1773                 0.7154                 0.3237
  Dep-U Fr= 1--      0.3012                 0.8341                 0.4891
 Alpha2 Fr= 1--      0.2817                 0.0013                 0.0074
 Beta2  Fr= 1--      0.9810                 0.3100                 0.0634
 AlphaG Fr= 1--      0.2013                 0.0198                 0.0617
 Gamma2 Fr= 1--      3.1921                -3.6334                -0.2491
 Delta2 Fr= 1--      0.7970                -1.0276                -0.1282
 Raman1 Fr= 1--      78.166                  8.920                  3.113
 ROA1   Fr= 1--     331.950               -381.685                -28.017
 CID1   Fr= 1--       4.247                -42.790                 -9.001
 Raman2 Fr= 1--      11.772                  3.720                  0.761
 ROA2   Fr= 1--      70.235                -78.980                 -4.953
 CID2   Fr= 1--       5.966                -21.230                 -6.508
 Raman3 Fr= 1--      23.543                  7.440                  1.522
 ROA3   Fr= 1--     331.950               -381.685                -28.017
 CID3   Fr= 1--      14.100                -51.300                -18.406
 RC180  Fr= 1--      -0.398                  0.668                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      1.9083                 0.9307                 1.5233
  Dep-P Fr= 1--      0.7366                 0.6925                 0.7491
  Dep-U Fr= 1--      0.8483                 0.8183                 0.8566
 Alpha2 Fr= 1--      0.0004                 0.0009                 0.0000
 Beta2  Fr= 1--      0.2698                 0.1269                 0.2175
 AlphaG Fr= 1--     -0.0002                 0.0081                 0.0023
 Gamma2 Fr= 1--     -0.8139                -0.4298                -1.1795
 Delta2 Fr= 1--      0.0430                -0.0600                 0.0184
 Raman1 Fr= 1--       7.633                  3.723                  6.093
 ROA1   Fr= 1--     -76.760                -43.181               -112.643
 CID1   Fr= 1--     -10.056                -11.600                -18.486
 Raman2 Fr= 1--       3.238                  1.523                  2.610
 ROA2   Fr= 1--     -19.878                 -9.836                -28.455
 CID2   Fr= 1--      -6.139                 -6.458                -10.904
 Raman3 Fr= 1--       6.476                  3.046                  5.219
 ROA3   Fr= 1--     -76.760                -43.181               -112.643
 CID3   Fr= 1--     -11.854                -14.176                -21.582
 RC180  Fr= 1--       0.697                  0.637                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.2550                21.8446                 4.1246
  Dep-P Fr= 1--      0.3410                 0.3524                 0.5404
  Dep-U Fr= 1--      0.5086                 0.5211                 0.7017
 Alpha2 Fr= 1--      0.0023                 0.1903                 0.0166
 Beta2  Fr= 1--      0.0216                 1.8973                 0.4823
 AlphaG Fr= 1--      0.0070                 0.1337                 0.0923
 Gamma2 Fr= 1--     -0.4262                -0.2573                 0.5113
 Delta2 Fr= 1--      0.0234                -0.3674                 0.9655
 Raman1 Fr= 1--       1.020                 87.378                 16.498
 ROA1   Fr= 1--     -40.161                -36.459                 79.981
 CID1   Fr= 1--     -39.380                 -0.417                  4.848
 Raman2 Fr= 1--       0.259                 22.768                  5.788
 ROA2   Fr= 1--     -10.415                 -3.236                  4.547
 CID2   Fr= 1--     -40.160                 -0.142                  0.786
 Raman3 Fr= 1--       0.519                 45.535                 11.576
 ROA3   Fr= 1--     -40.161                -36.459                 79.981
 CID3   Fr= 1--     -77.427                 -0.801                  6.909
 RC180  Fr= 1--       0.017                  0.042                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      7.2695                 1.4684                 1.3005
  Dep-P Fr= 1--      0.2438                 0.6766                 0.7479
  Dep-U Fr= 1--      0.3921                 0.8071                 0.8558
 Alpha2 Fr= 1--      0.0877                 0.0019                 0.0000
 Beta2  Fr= 1--      0.4750                 0.1975                 0.1855
 AlphaG Fr= 1--     -0.1837                -0.1050                 0.0018
 Gamma2 Fr= 1--      1.7742                -1.0385                 0.0389
 Delta2 Fr= 1--     -0.6646                 0.7869                 0.3724
 Raman1 Fr= 1--      29.078                  5.873                  5.202
 ROA1   Fr= 1--     149.056                -74.515                 15.652
 CID1   Fr= 1--       5.126                -12.687                  3.009
 Raman2 Fr= 1--       5.700                  2.370                  2.226
 ROA2   Fr= 1--      47.897                -31.220                 -2.045
 CID2   Fr= 1--       8.403                -13.171                 -0.919
 Raman3 Fr= 1--      11.400                  4.741                  4.452
 ROA3   Fr= 1--     149.056                -74.515                 15.652
 CID3   Fr= 1--      13.075                -15.719                  3.516
 RC180  Fr= 1--      -0.216                  0.614                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.7885                 2.3739                 2.4418
  Dep-P Fr= 1--      0.7125                 0.1963                 0.2809
  Dep-U Fr= 1--      0.8321                 0.3282                 0.4386
 Alpha2 Fr= 1--      0.0005                 0.0326                 0.0265
 Beta2  Fr= 1--      0.1094                 0.1298                 0.1785
 AlphaG Fr= 1--     -0.0262                 0.1056                 0.0796
 Gamma2 Fr= 1--      1.3282                -0.6298                -1.2776
 Delta2 Fr= 1--      0.4497                -0.5513                -0.2630
 Raman1 Fr= 1--       3.154                  9.495                  9.767
 ROA1   Fr= 1--     141.896                -78.101               -131.061
 CID1   Fr= 1--      44.992                 -8.225                -13.418
 Raman2 Fr= 1--       1.312                  1.558                  2.142
 ROA2   Fr= 1--      28.279                -10.705                -28.558
 CID2   Fr= 1--      21.551                 -6.870                -13.334
 Raman3 Fr= 1--       2.624                  3.116                  4.284
 ROA3   Fr= 1--     141.896                -78.101               -131.061
 CID3   Fr= 1--      54.068                -25.062                -30.597
 RC180  Fr= 1--       0.664                 -0.344                 -0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.9161                75.6015                 6.6740
  Dep-P Fr= 1--      0.7486                 0.0783                 0.0589
  Dep-U Fr= 1--      0.8562                 0.1452                 0.1113
 Alpha2 Fr= 1--      0.0000                 1.3955                 0.1290
 Beta2  Fr= 1--      0.2734                 1.8294                 0.1238
 AlphaG Fr= 1--      0.0106                 0.0597                -0.2313
 Gamma2 Fr= 1--      4.2230                 1.4873                -0.0953
 Delta2 Fr= 1--     -0.4553                -0.3808                 0.4931
 Raman1 Fr= 1--       7.664                302.406                 26.696
 ROA1   Fr= 1--     390.843                130.596                  6.632
 CID1   Fr= 1--      50.995                  0.432                  0.248
 Raman2 Fr= 1--       3.281                 21.953                  1.486
 ROA2   Fr= 1--     104.995                 38.741                 -6.231
 CID2   Fr= 1--      32.000                  1.765                 -4.193
 Raman3 Fr= 1--       6.562                 43.906                  2.972
 ROA3   Fr= 1--     390.843                130.596                  6.632
 CID3   Fr= 1--      59.560                  2.974                  2.232
 RC180  Fr= 1--       0.712                 -0.710                 -0.777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      6.7491                 0.8886                 1.4806
  Dep-P Fr= 1--      0.5137                 0.2478                 0.3663
  Dep-U Fr= 1--      0.6787                 0.3971                 0.5362
 Alpha2 Fr= 1--      0.0312                 0.0106                 0.0123
 Beta2  Fr= 1--      0.7635                 0.0588                 0.1323
 AlphaG Fr= 1--     -0.0857                -0.0052                -0.0237
 Gamma2 Fr= 1--      1.8874                -0.4577                -0.0478
 Delta2 Fr= 1--     -0.9093                -0.1800                 0.0071
 Raman1 Fr= 1--      26.996                  3.555                  5.922
 ROA1   Fr= 1--     152.098                -49.702                 -4.365
 CID1   Fr= 1--       5.634                -13.983                 -0.737
 Raman2 Fr= 1--       9.162                  0.706                  1.588
 ROA2   Fr= 1--      52.573                 -9.545                 -1.204
 CID2   Fr= 1--       5.738                -13.524                 -0.759
 Raman3 Fr= 1--      18.324                  1.412                  3.175
 ROA3   Fr= 1--     152.098                -49.702                 -4.365
 CID3   Fr= 1--       8.301                -35.210                 -1.375
 RC180  Fr= 1--       0.357                 -0.206                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     31.7505                 1.9050                 1.3932
  Dep-P Fr= 1--      0.1145                 0.7492                 0.6151
  Dep-U Fr= 1--      0.2055                 0.8566                 0.7617
 Alpha2 Fr= 1--      0.5364                 0.0000                 0.0034
 Beta2  Fr= 1--      1.0876                 0.2720                 0.1769
 AlphaG Fr= 1--      0.4345                -0.0009                -0.0224
 Gamma2 Fr= 1--     -2.3999                -0.3501                -1.0675
 Delta2 Fr= 1--      0.2749                -0.1466                -0.3354
 Raman1 Fr= 1--     127.002                  7.620                  5.573
 ROA1   Fr= 1--    -221.591                -38.299               -113.211
 CID1   Fr= 1--      -1.745                 -5.026                -20.315
 Raman2 Fr= 1--      13.052                  3.264                  2.122
 ROA2   Fr= 1--     -59.796                 -7.229                -22.936
 CID2   Fr= 1--      -4.582                 -2.215                -10.807
 Raman3 Fr= 1--      26.103                  6.527                  4.245
 ROA3   Fr= 1--    -221.591                -38.299               -113.211
 CID3   Fr= 1--      -8.489                 -5.867                -26.672
 RC180  Fr= 1--      -0.589                  0.713                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      8.4088                 1.1364                 4.0065
  Dep-P Fr= 1--      0.3424                 0.7445                 0.2714
  Dep-U Fr= 1--      0.5101                 0.8536                 0.4270
 Alpha2 Fr= 1--      0.0757                 0.0001                 0.0447
 Beta2  Fr= 1--      0.7149                 0.1617                 0.2851
 AlphaG Fr= 1--      0.1436                -0.0012                 0.2633
 Gamma2 Fr= 1--      2.2965                 0.2952                 3.0916
 Delta2 Fr= 1--     -1.4338                 0.1368                 0.7551
 Raman1 Fr= 1--      33.635                  4.546                 16.026
 ROA1   Fr= 1--     174.580                 32.718                320.958
 CID1   Fr= 1--       5.190                  7.198                 20.028
 Raman2 Fr= 1--       8.579                  1.940                  3.421
 ROA2   Fr= 1--      66.585                  5.990                 68.158
 CID2   Fr= 1--       7.762                  3.088                 19.923
 Raman3 Fr= 1--      17.157                  3.880                  6.842
 ROA3   Fr= 1--     174.580                 32.718                320.958
 CID3   Fr= 1--      10.175                  8.433                 46.908
 RC180  Fr= 1--       0.020                  0.707                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     24.4617                 2.8722                 3.1650
  Dep-P Fr= 1--      0.1496                 0.5757                 0.0839
  Dep-U Fr= 1--      0.2602                 0.7308                 0.1548
 Alpha2 Fr= 1--      0.3786                 0.0094                 0.0576
 Beta2  Fr= 1--      1.0608                 0.3498                 0.0817
 AlphaG Fr= 1--     -0.4145                 0.0341                 0.0135
 Gamma2 Fr= 1--     -2.9606                 0.9504                -0.1342
 Delta2 Fr= 1--     -0.9023                -2.2446                -0.0179
 Raman1 Fr= 1--      97.847                 11.489                 12.660
 ROA1   Fr= 1--    -313.093                 19.410                -13.457
 CID1   Fr= 1--      -3.200                  1.689                 -1.063
 Raman2 Fr= 1--      12.730                  4.198                  0.980
 ROA2   Fr= 1--     -63.836                 40.766                 -3.078
 CID2   Fr= 1--      -5.015                  9.711                 -3.141
 Raman3 Fr= 1--      25.459                  8.396                  1.960
 ROA3   Fr= 1--    -313.093                 19.410                -13.457
 CID3   Fr= 1--     -12.298                  2.312                 -6.866
 RC180  Fr= 1--      -0.480                  0.462                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--     17.0245                10.2413                 3.2000
  Dep-P Fr= 1--      0.5518                 0.1471                 0.4523
  Dep-U Fr= 1--      0.7111                 0.2565                 0.6229
 Alpha2 Fr= 1--      0.0644                 0.1595                 0.0194
 Beta2  Fr= 1--      2.0178                 0.4378                 0.3322
 AlphaG Fr= 1--      0.0820                -0.1741                 0.0012
 Gamma2 Fr= 1--     -1.3379                 1.5042                -2.0046
 Delta2 Fr= 1--      0.3363                 0.6007                -2.8938
 Raman1 Fr= 1--      68.098                 40.965                 12.800
 ROA1   Fr= 1--    -117.673                163.627               -285.044
 CID1   Fr= 1--      -1.728                  3.994                -22.269
 Raman2 Fr= 1--      24.214                  5.253                  3.986
 ROA2   Fr= 1--     -34.799                 31.296                -24.960
 CID2   Fr= 1--      -1.437                  5.958                 -6.261
 Raman3 Fr= 1--      48.428                 10.506                  7.973
 ROA3   Fr= 1--    -117.673                163.627               -285.044
 CID3   Fr= 1--      -2.430                 15.574                -35.752
 RC180  Fr= 1--       0.422                 -0.487                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.7753                10.4941                33.3872
  Dep-P Fr= 1--      0.7499                 0.0724                 0.4264
  Dep-U Fr= 1--      0.8571                 0.1350                 0.5979
 Alpha2 Fr= 1--      0.0000                 0.1965                 0.2244
 Beta2  Fr= 1--      0.1108                 0.2361                 3.3269
 AlphaG Fr= 1--     -0.0011                -0.0720                 0.0133
 Gamma2 Fr= 1--     -0.0303                -0.2598               -10.7566
 Delta2 Fr= 1--     -0.0348                -0.1353                -0.9899
 Raman1 Fr= 1--       3.101                 41.976                133.549
 ROA1   Fr= 1--      -4.022                -29.275              -1064.306
 CID1   Fr= 1--      -1.297                 -0.697                 -7.969
 Raman2 Fr= 1--       1.329                  2.833                 39.922
 ROA2   Fr= 1--      -0.449                 -5.153               -250.239
 CID2   Fr= 1--      -0.338                 -1.819                 -6.268
 Raman3 Fr= 1--       2.658                  5.667                 79.845
 ROA3   Fr= 1--      -4.022                -29.275              -1064.306
 CID3   Fr= 1--      -1.513                 -5.166                -13.330
 RC180  Fr= 1--       0.714                 -0.730                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     37.9268               115.1538                 3.2058
  Dep-P Fr= 1--      0.6728                 0.2549                 0.2933
  Dep-U Fr= 1--      0.8044                 0.4062                 0.4536
 Alpha2 Fr= 1--      0.0519                 1.3463                 0.0335
 Beta2  Fr= 1--      5.0845                 7.7961                 0.2423
 AlphaG Fr= 1--      0.0998                 0.2899                 0.0729
 Gamma2 Fr= 1--      6.3107                23.4276                 4.4973
 Delta2 Fr= 1--     -1.4799                -0.7254                -0.2842
 Raman1 Fr= 1--     151.707                460.615                 12.823
 ROA1   Fr= 1--     558.472               2225.835                422.645
 CID1   Fr= 1--       3.681                  4.832                 32.959
 Raman2 Fr= 1--      61.014                 93.553                  2.908
 ROA2   Fr= 1--     163.296                568.066                110.209
 CID2   Fr= 1--       2.676                  6.072                 37.896
 Raman3 Fr= 1--     122.029                187.106                  5.816
 ROA3   Fr= 1--     558.472               2225.835                422.645
 CID3   Fr= 1--       4.577                 11.896                 72.665
 RC180  Fr= 1--       0.609                 -0.188                 -0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     49.6667                 8.2157                20.3309
  Dep-P Fr= 1--      0.2577                 0.2257                 0.4695
  Dep-U Fr= 1--      0.4097                 0.3682                 0.6390
 Alpha2 Fr= 1--      0.5761                 0.1041                 0.1150
 Beta2  Fr= 1--      3.3917                 0.5042                 2.1654
 AlphaG Fr= 1--      0.4760                -0.0830                 0.1516
 Gamma2 Fr= 1--      2.0996                -5.6582                 4.9060
 Delta2 Fr= 1--     -1.9071                -0.0933                -3.7443
 Raman1 Fr= 1--     198.667                 32.863                 81.324
 ROA1   Fr= 1--     140.531               -546.171                351.158
 CID1   Fr= 1--       0.707                -16.620                  4.318
 Raman2 Fr= 1--      40.700                  6.051                 25.984
 ROA2   Fr= 1--      65.647               -135.049                147.699
 CID2   Fr= 1--       1.613                -22.320                  5.684
 Raman3 Fr= 1--      81.401                 12.101                 51.968
 ROA3   Fr= 1--     140.531               -546.171                351.158
 CID3   Fr= 1--       1.726                -45.134                  6.757
 RC180  Fr= 1--      -0.181                 -0.264                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     32.9078                 3.4327                 8.8944
  Dep-P Fr= 1--      0.1765                 0.1536                 0.4146
  Dep-U Fr= 1--      0.3000                 0.2663                 0.5861
 Alpha2 Fr= 1--      0.4753                 0.0526                 0.0625
 Beta2  Fr= 1--      1.6456                 0.1523                 0.8689
 AlphaG Fr= 1--      0.1802                 0.0730                 0.1113
 Gamma2 Fr= 1--      1.3441                -0.2908                -1.8745
 Delta2 Fr= 1--     -0.7730                 0.3927                -4.6134
 Raman1 Fr= 1--     131.631                 13.731                 35.578
 ROA1   Fr= 1--     104.297                -15.353               -327.583
 CID1   Fr= 1--       0.792                 -1.118                 -9.208
 Raman2 Fr= 1--      19.747                  1.828                 10.427
 ROA2   Fr= 1--      38.443                -10.122                 -8.080
 CID2   Fr= 1--       1.947                 -5.537                 -0.775
 Raman3 Fr= 1--      39.495                  3.656                 20.853
 ROA3   Fr= 1--     104.297                -15.353               -327.583
 CID3   Fr= 1--       2.641                 -4.199                -15.709
 RC180  Fr= 1--      -0.400                 -0.467                  0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     93.7157                99.3374                25.3066
  Dep-P Fr= 1--      0.1969                 0.2027                 0.2449
  Dep-U Fr= 1--      0.3290                 0.3371                 0.3934
 Alpha2 Fr= 1--      1.2832                 1.3394                 0.3043
 Beta2  Fr= 1--      5.1387                 5.5803                 1.6593
 AlphaG Fr= 1--     -0.6295                 0.4888                 0.2417
 Gamma2 Fr= 1--     -1.6628                 1.2260                 3.4134
 Delta2 Fr= 1--      9.3230                 2.5913                 2.2234
 Raman1 Fr= 1--     374.863                397.350                101.227
 ROA1   Fr= 1--     138.707                200.613                398.836
 CID1   Fr= 1--       0.370                  0.505                  3.940
 Raman2 Fr= 1--      61.664                 66.964                 19.911
 ROA2   Fr= 1--    -114.492                  8.692                 64.134
 CID2   Fr= 1--      -1.857                  0.130                  3.221
 Raman3 Fr= 1--     123.328                133.928                 39.823
 ROA3   Fr= 1--     138.707                200.613                398.836
 CID3   Fr= 1--       1.125                  1.498                 10.015
 RC180  Fr= 1--      -0.342                 -0.326                 -0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    441.5742               280.8971                12.7414
  Dep-P Fr= 1--      0.2026                 0.2568                 0.4064
  Dep-U Fr= 1--      0.3369                 0.4087                 0.5779
 Alpha2 Fr= 1--      5.9561                 3.2659                 0.0922
 Beta2  Fr= 1--     24.7928                19.1334                 1.2272
 AlphaG Fr= 1--      4.0314                -0.1503                 0.0587
 Gamma2 Fr= 1--      5.6388                 9.8869                -0.9761
 Delta2 Fr= 1--     -6.4420                -1.5556                 0.3362
 Raman1 Fr= 1--    1766.297               1123.589                 50.965
 ROA1   Fr= 1--     335.186                899.361                -82.943
 CID1   Fr= 1--       0.190                  0.800                 -1.627
 Raman2 Fr= 1--     297.513                229.601                 14.727
 ROA2   Fr= 1--     186.868                249.729                -26.116
 CID2   Fr= 1--       0.628                  1.088                 -1.773
 Raman3 Fr= 1--     595.026                459.201                 29.453
 ROA3   Fr= 1--     335.186                899.361                -82.943
 CID3   Fr= 1--       0.563                  1.959                 -2.816
 RC180  Fr= 1--      -0.326                 -0.183                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     11.9238                 3.9789                15.6067
  Dep-P Fr= 1--      0.7499                 0.7373                 0.4534
  Dep-U Fr= 1--      0.8571                 0.8488                 0.6239
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0944
 Beta2  Fr= 1--      1.7033                 0.5629                 1.6229
 AlphaG Fr= 1--      0.0021                 0.0142                -0.0117
 Gamma2 Fr= 1--     -0.0208                 1.1393                 0.3608
 Delta2 Fr= 1--      0.0136                -1.1349                 0.0308
 Raman1 Fr= 1--      47.695                 15.916                 62.427
 ROA1   Fr= 1--      -1.559                 73.053                 35.626
 CID1   Fr= 1--      -0.033                  4.590                  0.571
 Raman2 Fr= 1--      20.440                  6.755                 19.475
 ROA2   Fr= 1--      -0.608                 36.421                  8.414
 CID2   Fr= 1--      -0.030                  5.392                  0.432
 Raman3 Fr= 1--      40.880                 13.510                 38.951
 ROA3   Fr= 1--      -1.559                 73.053                 35.626
 CID3   Fr= 1--      -0.038                  5.407                  0.915
 RC180  Fr= 1--       0.714                  0.698                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--     11.2867               141.6988                23.1337
  Dep-P Fr= 1--      0.4025                 0.2638                 0.1616
  Dep-U Fr= 1--      0.5740                 0.4175                 0.2783
 Alpha2 Fr= 1--      0.0829                 1.6152                 0.3472
 Beta2  Fr= 1--      1.0797                 9.8595                 1.0729
 AlphaG Fr= 1--      0.2441                 0.2736                 0.5709
 Gamma2 Fr= 1--      2.2612                 3.5041                 2.7250
 Delta2 Fr= 1--      2.3873                -0.2282                -0.5457
 Raman1 Fr= 1--      45.147                566.795                 92.535
 ROA1   Fr= 1--     293.467                329.089                244.141
 CID1   Fr= 1--       6.500                  0.581                  2.638
 Raman2 Fr= 1--      12.957                118.315                 12.875
 ROA2   Fr= 1--      35.170                 85.923                 69.767
 CID2   Fr= 1--       2.714                  0.726                  5.419
 Raman3 Fr= 1--      25.913                236.629                 25.750
 ROA3   Fr= 1--     293.467                329.089                244.141
 CID3   Fr= 1--      11.325                  1.391                  9.481
 RC180  Fr= 1--       0.148                 -0.165                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     75.9614                12.3912               417.3295
  Dep-P Fr= 1--      0.4694                 0.7055                 0.3808
  Dep-U Fr= 1--      0.6389                 0.8273                 0.5516
 Alpha2 Fr= 1--      0.4298                 0.0096                 3.3064
 Beta2  Fr= 1--      8.0885                 1.7086                38.3633
 AlphaG Fr= 1--      0.9100                 0.0569                 1.9027
 Gamma2 Fr= 1--     -1.3401                -1.1602                11.6981
 Delta2 Fr= 1--     -4.1167                -6.2003                -1.5095
 Raman1 Fr= 1--     303.846                 49.565               1669.318
 ROA1   Fr= 1--    -260.381               -309.788               1074.713
 CID1   Fr= 1--      -0.857                 -6.250                  0.644
 Raman2 Fr= 1--      97.062                 20.503                460.360
 ROA2   Fr= 1--       0.771                 21.758                292.830
 CID2   Fr= 1--       0.008                  1.061                  0.636
 Raman3 Fr= 1--     194.124                 41.006                920.719
 ROA3   Fr= 1--    -260.381               -309.788               1074.713
 CID3   Fr= 1--      -1.341                 -7.555                  1.167
 RC180  Fr= 1--       0.278                  0.655                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     19.2270               285.2126               197.8182
  Dep-P Fr= 1--      0.3306                 0.0506                 0.0220
  Dep-U Fr= 1--      0.4969                 0.0963                 0.0431
 Alpha2 Fr= 1--      0.1796                 5.6259                 4.1751
 Beta2  Fr= 1--      1.5925                 4.5784                 1.4200
 AlphaG Fr= 1--      0.5519                 0.7609                 0.0855
 Gamma2 Fr= 1--      2.7737                 2.9159                 1.8273
 Delta2 Fr= 1--      0.4187                -1.2009                 0.2576
 Raman1 Fr= 1--      76.908               1140.850                791.273
 ROA1   Fr= 1--     279.672                241.500                183.666
 CID1   Fr= 1--       3.636                  0.212                  0.232
 Raman2 Fr= 1--      19.110                 54.941                 17.040
 ROA2   Fr= 1--      63.218                 79.590                 41.794
 CID2   Fr= 1--       3.308                  1.449                  2.453
 Raman3 Fr= 1--      38.219                109.882                 34.080
 ROA3   Fr= 1--     279.672                241.500                183.666
 CID3   Fr= 1--       7.318                  2.198                  5.389
 RC180  Fr= 1--      -0.006                 -0.807                 -0.914
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     95.6144                94.6802                55.1828
  Dep-P Fr= 1--      0.3084                 0.7498                 0.3418
  Dep-U Fr= 1--      0.4714                 0.8570                 0.5095
 Alpha2 Fr= 1--      0.9563                 0.0003                 0.4974
 Beta2  Fr= 1--      7.5115                13.5239                 4.6859
 AlphaG Fr= 1--      2.0774                 0.0770                -1.7607
 Gamma2 Fr= 1--     -4.4097                 3.8323                 2.3032
 Delta2 Fr= 1--      1.4898                 3.1354                -0.4330
 Raman1 Fr= 1--     382.458                378.721                220.731
 ROA1   Fr= 1--    -375.652                468.231                207.254
 CID1   Fr= 1--      -0.982                  1.236                  0.939
 Raman2 Fr= 1--      90.138                162.287                 56.230
 ROA2   Fr= 1--    -117.750                 66.892                 58.741
 CID2   Fr= 1--      -1.306                  0.412                  1.045
 Raman3 Fr= 1--     180.275                324.573                112.461
 ROA3   Fr= 1--    -375.652                468.231                207.254
 CID3   Fr= 1--      -2.084                  1.443                  1.843
 RC180  Fr= 1--      -0.057                  0.714                  0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    138.5786               190.5010                76.3072
  Dep-P Fr= 1--      0.5394                 0.4454                 0.6336
  Dep-U Fr= 1--      0.7008                 0.6163                 0.7757
 Alpha2 Fr= 1--      0.5617                 1.1897                 0.1612
 Beta2  Fr= 1--     16.1857                19.5661                 9.8650
 AlphaG Fr= 1--      0.5508                -0.2396                -0.0340
 Gamma2 Fr= 1--     -6.9001                -1.2354                -0.2407
 Delta2 Fr= 1--      5.9781                -1.4576                 2.2671
 Raman1 Fr= 1--     554.314                762.004                305.229
 ROA1   Fr= 1--    -471.107               -165.242                 49.437
 CID1   Fr= 1--      -0.850                 -0.217                  0.162
 Raman2 Fr= 1--     194.229                234.794                118.380
 ROA2   Fr= 1--    -213.426                -17.988                -23.914
 CID2   Fr= 1--      -1.099                 -0.077                 -0.202
 Raman3 Fr= 1--     388.458                469.587                236.759
 ROA3   Fr= 1--    -471.107               -165.242                 49.437
 CID3   Fr= 1--      -1.213                 -0.352                  0.209
 RC180  Fr= 1--       0.402                  0.233                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     41.9699                65.0330               143.2124
  Dep-P Fr= 1--      0.4855                 0.4243                 0.1940
  Dep-U Fr= 1--      0.6537                 0.5958                 0.3249
 Alpha2 Fr= 1--      0.2214                 0.4406                 1.9760
 Beta2  Fr= 1--      4.5723                 6.4579                 7.7558
 AlphaG Fr= 1--      0.0715                 0.1146                -0.0490
 Gamma2 Fr= 1--      0.4873                 1.6453                -1.2261
 Delta2 Fr= 1--     -0.8140                 2.0966                -1.5150
 Raman1 Fr= 1--     167.880                260.132                572.850
 ROA1   Fr= 1--      20.734                225.045               -166.183
 CID1   Fr= 1--       0.124                  0.865                 -0.290
 Raman2 Fr= 1--      54.868                 77.495                 93.069
 ROA2   Fr= 1--      18.208                 22.715                -17.306
 CID2   Fr= 1--       0.332                  0.293                 -0.186
 Raman3 Fr= 1--     109.736                154.989                186.138
 ROA3   Fr= 1--      20.734                225.045               -166.183
 CID3   Fr= 1--       0.189                  1.452                 -0.893
 RC180  Fr= 1--       0.307                  0.192                 -0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    171.3760               137.4456               259.0461
  Dep-P Fr= 1--      0.2463                 0.2472                 0.2753
  Dep-U Fr= 1--      0.3952                 0.3964                 0.4317
 Alpha2 Fr= 1--      2.0523                 1.6418                 2.8571
 Beta2  Fr= 1--     11.2889                 9.0808                18.6397
 AlphaG Fr= 1--     -0.2865                 0.1850                 6.0610
 Gamma2 Fr= 1--     -3.4175                 2.0711                63.1186
 Delta2 Fr= 1--     -0.8359                 0.5861                 8.0548
 Raman1 Fr= 1--     685.504                549.782               1036.184
 ROA1   Fr= 1--    -354.824                217.577               6317.141
 CID1   Fr= 1--      -0.518                  0.396                  6.097
 Raman2 Fr= 1--     135.467                108.969                223.677
 ROA2   Fr= 1--     -75.332                 45.017               1450.408
 CID2   Fr= 1--      -0.556                  0.413                  6.484
 Raman3 Fr= 1--     270.934                217.939                447.354
 ROA3   Fr= 1--    -354.824                217.577               6317.141
 CID3   Fr= 1--      -1.310                  0.998                 14.121
 RC180  Fr= 1--      -0.210                 -0.207                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.323267D+03  0.153636D+02 -0.164458D+02
      2   0.153636D+02  0.178039D+03 -0.562464D+01
      3  -0.164458D+02 -0.562464D+01  0.121624D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116667D+02 -0.302739D+02  0.130006D+02
      2   0.856575D+02  0.177868D+02  0.142711D+02
      3   0.477848D+02  0.564414D+02 -0.217747D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.357394D+03 -0.483720D+02  0.942646D+02
      2   0.168712D+03  0.251206D+02 -0.490023D+02
      3   0.188683D+03  0.232514D+02 -0.452623D+02
      4  -0.622065D+02 -0.123371D+03  0.421198D+02
      5   0.265082D+02  0.460720D+02  0.363155D+02
      6   0.126765D+02 -0.727705D+02 -0.356609D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443133D+02  0.955173D+01 -0.380930D+01 -0.447114D+02 -0.538972D+01
      2   0.955173D+01  0.501890D+01 -0.173919D+01 -0.538972D+01 -0.531585D+01
      3  -0.380930D+01 -0.173919D+01 -0.127364D-02  0.476321D+01  0.971120D+00
                 6             7             8             9            10 
      1   0.476321D+01  0.709727D+00 -0.520538D+00  0.126762D+01 -0.366186D+02
      2   0.971120D+00 -0.520538D+00 -0.209323D+00 -0.971365D+00 -0.902707D+01
      3  -0.200184D+00  0.126762D+01 -0.971365D+00  0.161958D+00  0.316249D+01
                11            12            13            14            15 
      1  -0.902707D+01  0.316249D+01  0.487962D+02  0.629943D+01 -0.541514D+01
      2  -0.116508D+01  0.704157D+00  0.629943D+01  0.704065D+01 -0.161373D+01
      3   0.704157D+00 -0.182573D+00 -0.541514D+01 -0.161373D+01  0.727122D-01
                16            17            18            19            20 
      1  -0.371866D+00  0.539052D+00 -0.496590D+00 -0.539132D+02 -0.110360D+02
      2   0.539052D+00 -0.330189D+00  0.110200D+01 -0.110360D+02 -0.990886D+01
      3  -0.496590D+00  0.110200D+01 -0.293108D+00  0.369465D+01  0.172287D+01
                21            22            23            24            25 
      1   0.369465D+01 -0.228738D+02 -0.269649D+01  0.150635D+00  0.934295D+01
      2   0.172287D+01 -0.269649D+01 -0.628383D+01  0.585683D+00  0.437469D+00
      3  -0.649726D+00  0.150635D+00  0.585683D+00 -0.232078D+01  0.681050D+00
                26            27            28            29            30 
      1   0.437469D+00  0.681050D+00  0.617425D+02  0.602234D+01 -0.595295D+00
      2   0.122627D+01 -0.390326D+01  0.602234D+01  0.511731D+01 -0.754971D+00
      3  -0.390326D+01  0.589724D+00 -0.595295D+00 -0.754971D+00  0.230557D+01
                31            32            33            34            35 
      1   0.716304D+01  0.336643D+01  0.834848D-01 -0.537787D+01 -0.516848D+00
      2   0.336643D+01  0.165385D+02 -0.292116D+01 -0.516848D+00 -0.303982D+01
      3   0.834848D-01 -0.292116D+01  0.382879D+00  0.645623D+01  0.122826D+01
                36            37            38            39            40 
      1   0.645623D+01  0.584222D+01 -0.124228D+01 -0.269206D+00  0.119845D+02
      2   0.122826D+01 -0.124228D+01  0.146806D+02 -0.159043D+01  0.899664D+00
      3  -0.149183D+01 -0.269206D+00 -0.159043D+01  0.258340D+01  0.401505D+00
                41            42            43            44            45 
      1   0.899664D+00  0.401505D+00 -0.121644D+01  0.127918D+01  0.477620D+01
      2  -0.895112D+01  0.165628D+01  0.127918D+01 -0.641530D+00  0.229506D+01
      3   0.165628D+01  0.750039D+00  0.477620D+01  0.229506D+01 -0.263288D+01
                46            47            48            49            50 
      1  -0.978787D+01  0.216802D+01  0.156167D+01  0.263718D+01  0.394294D+01
      2   0.216802D+01 -0.102629D+02  0.216605D+01  0.394294D+01  0.101071D+01
      3   0.156167D+01  0.216605D+01 -0.237086D+01 -0.448720D+00  0.235460D+00
                51            52            53            54            55 
      1  -0.448720D+00  0.627943D+00 -0.145659D+00 -0.111953D+01  0.171153D+01
      2   0.235460D+00 -0.145659D+00  0.220984D+01  0.445498D+01 -0.269929D+01
      3   0.185716D+01 -0.111953D+01  0.445498D+01 -0.106331D+01 -0.148920D+00
                56            57            58            59            60 
      1  -0.269929D+01 -0.148920D+00 -0.399516D+01 -0.460770D+01  0.381849D+00
      2   0.600088D+01 -0.366787D+00 -0.460770D+01 -0.262568D+01  0.837797D-01
      3  -0.366787D+00  0.243227D+01  0.381849D+00  0.837797D-01 -0.172856D+01
                61            62            63            64            65 
      1   0.109384D+00  0.352145D+00  0.148018D+00  0.993698D+00 -0.216452D+01
      2   0.352145D+00 -0.146535D+01 -0.432098D+01 -0.216452D+01  0.947068D+00
      3   0.148018D+00 -0.432098D+01  0.461225D+00 -0.178220D+00  0.246595D+00
                66            67            68            69            70 
      1  -0.178220D+00 -0.283954D+01  0.305836D+01  0.103987D+00 -0.558970D+00
      2   0.246595D+00  0.305836D+01 -0.654490D+01 -0.785418D-01  0.165888D+00
      3   0.471951D-01  0.103987D+00 -0.785418D-01 -0.580099D+00 -0.129324D+00
                71            72            73            74            75 
      1   0.165888D+00 -0.129324D+00  0.624892D+01  0.351608D+01 -0.113709D+01
      2   0.393990D+00 -0.904704D-01  0.351608D+01  0.340508D+01 -0.804743D+00
      3  -0.904704D-01 -0.104121D-03 -0.113709D+01 -0.804743D+00  0.618489D+00
                76            77            78            79            80 
      1   0.418359D+01  0.456519D+01 -0.102037D+01 -0.139409D+01 -0.951584D+00
      2   0.456519D+01  0.540970D+01 -0.113494D+01 -0.951584D+00 -0.905823D+00
      3  -0.102037D+01 -0.113494D+01  0.878030D+00 -0.199934D+00  0.557661D+00
                81            82            83            84            85 
      1  -0.199934D+00 -0.843020D+00  0.161575D+01 -0.102811D+00  0.629431D+00
      2   0.557661D+00  0.161575D+01 -0.241869D+01  0.123145D+00 -0.141585D+01
      3  -0.154315D+00 -0.102811D+00  0.123145D+00 -0.140739D+00  0.229460D+00
                86            87            88            89            90 
      1  -0.141585D+01  0.229460D+00 -0.127958D+00 -0.114078D+00  0.109185D+00
      2   0.111900D+02 -0.115484D+01 -0.114078D+00 -0.999728D+00  0.230093D+00
      3  -0.115484D+01  0.931036D+00  0.109185D+00  0.230093D+00 -0.134340D+00
                91            92            93            94            95 
      1  -0.303599D+02 -0.352013D+01 -0.215937D+01 -0.496266D+00 -0.234633D+01
      2  -0.352013D+01 -0.107991D+01 -0.390964D+00 -0.234633D+01  0.139067D+01
      3  -0.215937D+01 -0.390964D+00 -0.329092D+01  0.553062D+00  0.338479D+01
                96            97            98            99           100 
      1   0.553062D+00 -0.116815D+02 -0.105443D+01 -0.687366D+01 -0.722949D+01
      2   0.338479D+01 -0.105443D+01  0.216308D+01 -0.197625D+01  0.163083D+01
      3  -0.513783D+00 -0.687366D+01 -0.197625D+01 -0.879876D+00  0.190399D+01
               101           102           103           104           105 
      1   0.163083D+01  0.190399D+01 -0.249798D+01  0.239021D+01  0.721482D+00
      2   0.183578D+01  0.879543D+00  0.239021D+01 -0.166246D+01 -0.345474D+01
      3   0.879543D+00  0.373590D+01  0.721482D+00 -0.345474D+01  0.980260D+00
               106           107           108           109           110 
      1   0.253809D+01  0.953088D+00  0.240140D+01 -0.371251D+01 -0.132003D+01
      2   0.953088D+00 -0.257742D+01  0.266539D+01 -0.132003D+01 -0.436332D+00
      3   0.240140D+01  0.266539D+01  0.357774D+01 -0.636679D+00 -0.468483D+00
               111           112           113           114           115 
      1  -0.636679D+00 -0.228719D+01  0.876996D+00  0.102435D-01  0.192975D+02
      2  -0.468483D+00  0.876996D+00 -0.194766D+00 -0.227136D+00  0.935091D+00
      3   0.141632D+01  0.102435D-01 -0.227136D+00  0.538713D+00  0.718380D+01
               116           117           118           119           120 
      1   0.935091D+00  0.718380D+01  0.447583D+01  0.187720D+01 -0.170007D+01
      2   0.783900D+00  0.581987D+00  0.187720D+01  0.101112D+01 -0.554630D+00
      3   0.581987D+00  0.719930D+00 -0.170007D+01 -0.554630D+00  0.170195D+01
               121           122           123           124           125 
      1   0.669440D+01  0.183518D+01 -0.136231D+01 -0.223398D+01 -0.555507D+00
      2   0.183518D+01  0.251311D+01 -0.203491D+01 -0.555507D+00 -0.196643D+01
      3  -0.136231D+01 -0.203491D+01  0.185046D+01  0.277902D+01  0.169495D+01
               126           127           128           129           130 
      1   0.277902D+01 -0.783943D+00 -0.226883D+00 -0.120278D+01  0.722064D+00
      2   0.169495D+01 -0.226883D+00 -0.108043D+01 -0.105784D+01 -0.265100D+00
      3  -0.349780D+01 -0.120278D+01 -0.105784D+01 -0.274003D+01 -0.874601D-01
               131           132           133           134           135 
      1  -0.265100D+00 -0.874601D-01 -0.155810D+01  0.338378D+00 -0.303793D+00
      2  -0.111885D+01 -0.989176D+00  0.338378D+00 -0.190730D+01 -0.265017D+01
      3  -0.989176D+00 -0.131684D+01 -0.303793D+00 -0.265017D+01 -0.759304D+01
               136           137           138           139           140 
      1  -0.105382D+00 -0.359095D+00  0.423919D+00 -0.124390D+01  0.434269D+00
      2  -0.359095D+00 -0.985345D+00  0.247898D-01  0.434269D+00 -0.437770D+01
      3   0.423919D+00  0.247898D-01 -0.778032D+00  0.722209D-01  0.153571D+01
               141           142           143           144           145 
      1   0.722209D-01  0.127563D+01 -0.756656D+00 -0.289993D+00  0.130382D+02
      2   0.153571D+01 -0.756656D+00  0.295313D+01 -0.155830D+01 -0.337448D+01
      3  -0.163739D+01 -0.289993D+00 -0.155830D+01  0.168824D+01 -0.239276D+01
               146           147           148           149           150 
      1  -0.337448D+01 -0.239276D+01 -0.187150D+01  0.133614D+01  0.121247D+00
      2   0.188973D+01  0.809545D+00  0.133614D+01 -0.532360D+00 -0.856567D-02
      3   0.809545D+00  0.150363D+01  0.121247D+00 -0.856567D-02 -0.109275D+00
               151           152           153           154           155 
      1  -0.142206D+01  0.216882D+00  0.128744D+01  0.198781D+02  0.279112D+01
      2   0.216882D+00  0.624990D-01 -0.571990D+00  0.279112D+01  0.208439D+01
      3   0.128744D+01 -0.571990D+00 -0.993982D+00  0.176197D+01  0.743420D+00
               156           157           158           159           160 
      1   0.176197D+01  0.403174D+01  0.439955D+01  0.262178D+00  0.242738D+01
      2   0.743420D+00  0.439955D+01  0.203021D+01  0.548095D+00  0.607053D+00
      3   0.285013D+01  0.262178D+00  0.548095D+00  0.315333D+00  0.276777D+01
               161           162           163           164           165 
      1   0.607053D+00  0.276777D+01  0.177176D+02  0.583947D+00  0.576201D+01
      2  -0.288110D+00  0.641007D+00  0.583947D+00 -0.496336D+00 -0.297819D+00
      3   0.641007D+00  0.434211D+00  0.576201D+01 -0.297819D+00  0.120877D+01
               166           167           168           169           170 
      1   0.318792D+01 -0.329553D+00  0.557238D+00 -0.514306D+00 -0.691290D+00
      2  -0.329553D+00 -0.281840D+00  0.126837D+01 -0.691290D+00  0.439645D+00
      3   0.557238D+00  0.126837D+01 -0.482009D-01  0.908388D-01  0.121645D+00
               171           172           173           174           175 
      1   0.908388D-01 -0.129357D+02  0.140966D+00 -0.328341D+01 -0.156360D+01
      2   0.121645D+00  0.140966D+00 -0.139200D-01  0.238755D+00  0.425876D+00
      3   0.686720D+01 -0.328341D+01  0.238755D+00 -0.344660D+01 -0.511227D+00
               176           177           178           179           180 
      1   0.425876D+00 -0.511227D+00 -0.841222D+01  0.928656D-01 -0.308602D+01
      2  -0.178544D+00  0.767954D+00  0.928656D-01  0.128810D+01 -0.131420D+00
      3   0.767954D+00 -0.656445D+00 -0.308602D+01 -0.131420D+00  0.106216D+00
               181           182           183           184           185 
      1  -0.518889D+01  0.253980D+00 -0.188995D+00 -0.165857D+02 -0.245904D+01
      2   0.253980D+00 -0.112610D+02  0.884380D-01 -0.245904D+01  0.455946D+01
      3  -0.188995D+00  0.884380D-01 -0.253736D+01  0.140112D+01 -0.366264D+00
               186           187           188           189           190 
      1   0.140112D+01  0.118178D+01 -0.568573D+00 -0.436303D+01 -0.379872D+02
      2  -0.366264D+00 -0.568573D+00  0.257087D+00 -0.285565D+01 -0.617317D+01
      3  -0.163055D+01 -0.436303D+01 -0.285565D+01  0.206658D+01  0.290427D+01
               191           192           193           194           195 
      1  -0.617317D+01  0.290427D+01 -0.110505D+01 -0.328537D+01 -0.821630D+00
      2  -0.101140D+02  0.110866D+01 -0.328537D+01 -0.122270D+02  0.961515D+00
      3   0.110866D+01 -0.423595D+01 -0.821630D+00  0.961515D+00  0.607781D+00
               196           197           198           199           200 
      1   0.278287D+01  0.188350D+00 -0.775713D+01  0.399225D+02  0.111222D+02
      2   0.188350D+00  0.238645D+01 -0.792376D+00  0.111222D+02  0.779833D+01
      3  -0.775713D+01 -0.792376D+00  0.194327D+01 -0.426192D+01 -0.843288D+00
               201           202           203           204           205 
      1  -0.426192D+01  0.177143D+02  0.414226D+01 -0.191000D+01 -0.680064D+01
      2  -0.843288D+00  0.414226D+01  0.619018D+01 -0.130794D+00 -0.124659D+01
      3   0.647044D+00 -0.191000D+01 -0.130794D+00  0.273942D+01 -0.585642D-01
               206           207           208           209           210 
      1  -0.124659D+01 -0.585642D-01  0.720685D+01  0.438944D+01 -0.148511D+01
      2  -0.589380D+00  0.487416D+01  0.438944D+01  0.433270D+01 -0.851579D+00
      3   0.487416D+01 -0.120314D+01 -0.148511D+01 -0.851579D+00  0.456835D+00
               211           212           213           214           215 
      1  -0.350216D+01 -0.403234D+01  0.669040D+00 -0.474798D+00  0.805005D-02
      2  -0.403234D+01  0.918522D+00  0.273704D+00  0.805005D-02 -0.458673D+00
      3   0.669040D+00  0.273704D+00 -0.153227D+01  0.236869D+00  0.784382D+00
               216           217           218           219           220 
      1   0.236869D+00 -0.152180D+01 -0.490876D+01  0.113527D+01 -0.194748D+01
      2   0.784382D+00 -0.490876D+01 -0.122012D+01  0.133952D+01  0.343524D+01
      3  -0.598175D-01  0.113527D+01  0.133952D+01 -0.180864D-02  0.117357D+01
               221           222           223           224           225 
      1   0.343524D+01  0.117357D+01  0.118154D+01  0.117011D+01  0.282376D+01
      2   0.153629D+01  0.753973D+00  0.117011D+01  0.103760D+01  0.465842D+01
      3   0.753973D+00  0.635453D+01  0.282376D+01  0.465842D+01 -0.236285D+01
               226           227           228           229           230 
      1   0.326999D+00 -0.153231D+01  0.107242D+00 -0.282005D+00  0.778118D+00
      2  -0.153231D+01  0.215303D+01 -0.149536D-01  0.778118D+00 -0.100732D+02
      3   0.107242D+00 -0.149536D-01  0.940279D-01 -0.128869D+00  0.751471D+00
               231           232           233           234           235 
      1  -0.128869D+00  0.179184D-01  0.729237D-01 -0.705534D-01 -0.691716D+01
      2   0.751471D+00  0.729237D-01  0.806300D+00 -0.134567D+00 -0.324613D+01
      3  -0.807952D+00 -0.705534D-01 -0.134567D+00  0.935546D-01  0.110631D+01
               236           237           238           239           240 
      1  -0.324613D+01  0.110631D+01 -0.482478D+01 -0.445205D+01  0.958349D+00
      2  -0.267196D+01  0.579274D+00 -0.445205D+01 -0.480068D+01  0.913020D+00
      3   0.579274D+00 -0.387692D+00  0.958349D+00  0.913020D+00 -0.679378D+00
               241           242           243           244           245 
      1   0.147831D+01  0.896653D+00  0.273203D+00 -0.134543D+01  0.260257D+01
      2   0.896653D+00  0.817346D+00 -0.228148D+00  0.260257D+01 -0.223036D+01
      3   0.273203D+00 -0.228148D+00  0.370703D-02 -0.196196D+00 -0.565374D-01
               246           247           248           249           250 
      1  -0.196196D+00  0.324207D+01 -0.388764D+01  0.195059D+00 -0.268925D+00
      2  -0.565374D-01 -0.388764D+01  0.860261D+01 -0.469234D+00  0.966386D-01
      3  -0.282239D+00  0.195059D+00 -0.469234D+00  0.844657D+00 -0.160356D+00
               251           252           253           254           255 
      1   0.966386D-01 -0.160356D+00  0.986637D+00  0.199898D+00  0.683485D+00
      2  -0.656037D+00  0.105039D+00  0.199898D+00  0.463391D+00 -0.102994D+00
      3   0.105039D+00 -0.508533D-01  0.683485D+00 -0.102994D+00  0.563350D+00
               256           257           258           259           260 
      1  -0.162994D+01 -0.170942D+01  0.135138D+01  0.437189D+01  0.136788D+01
      2  -0.170942D+01 -0.206158D+01  0.200091D+01  0.136788D+01  0.181938D+01
      3   0.135138D+01  0.200091D+01 -0.314243D+01 -0.377500D+01 -0.302578D+01
               261           262           263           264           265 
      1  -0.377500D+01 -0.751622D+00 -0.547962D+00 -0.145113D+01 -0.350080D+01
      2  -0.302578D+01 -0.547962D+00 -0.175790D+00 -0.561664D+00 -0.298057D+01
      3   0.677914D+01 -0.145113D+01 -0.561664D+00 -0.466840D-01 -0.181545D+01
               266           267           268           269           270 
      1  -0.298057D+01 -0.181545D+01 -0.555753D+01 -0.230723D+01 -0.292219D+01
      2  -0.344880D+01 -0.221578D+01 -0.230723D+01 -0.255184D+01 -0.274237D+01
      3  -0.221578D+01 -0.263152D+01 -0.292219D+01 -0.274237D+01 -0.354720D+01
               271           272           273           274           275 
      1  -0.144032D+02  0.291201D+01  0.991980D+00  0.677190D+01 -0.232869D+01
      2   0.291201D+01 -0.121736D+01 -0.317896D+00 -0.232869D+01  0.174862D+01
      3   0.991980D+00 -0.317896D+00 -0.107239D+01 -0.639138D+00  0.107986D+00
               276           277           278           279 
      1  -0.639138D+00  0.628404D+00 -0.288710D+00 -0.167674D+01
      2   0.107986D+00 -0.288710D+00 -0.576581D-01 -0.419323D-01
      3   0.432662D+00 -0.167674D+01 -0.419323D-01  0.465756D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198816D+01  0.465817D+01 -0.177729D+00  0.526178D+01  0.557091D+01
      2   0.182790D+02  0.672268D+01 -0.922201D+00 -0.144766D+02  0.673589D+00
      3   0.115522D+00  0.440826D+02 -0.394921D+01  0.335413D+02  0.259760D+02
                 6             7             8             9            10 
      1  -0.922589D+00  0.358211D+01  0.606198D+01 -0.811653D+00  0.260358D+01
      2   0.625143D+00 -0.200623D+02 -0.341802D+01  0.267960D+01 -0.214841D+02
      3  -0.477800D+01 -0.299492D+01 -0.889079D+01  0.792494D-01  0.252717D+01
                11            12            13            14            15 
      1   0.701774D+01 -0.103476D+01  0.819011D+01  0.131818D+01  0.352207D+00
      2   0.400897D-01 -0.403723D+01  0.207467D+02  0.354905D+01 -0.213641D+01
      3   0.488118D+02 -0.450055D+01  0.701101D+02  0.240960D+02 -0.940970D+01
                16            17            18            19            20 
      1   0.294709D+01  0.554511D+01 -0.116694D+01  0.279712D+01 -0.759752D+00
      2  -0.244540D+02 -0.229856D+01  0.322227D+01 -0.284249D+02 -0.920843D+01
      3  -0.618681D+01 -0.921938D+01  0.257016D+01  0.788820D+01 -0.351685D+02
                21            22            23            24            25 
      1  -0.432676D+00 -0.582585D+00  0.443968D+01 -0.307240D+01  0.652365D+01
      2   0.380123D+00 -0.160677D+02 -0.225518D+01 -0.170873D+01 -0.159505D+02
      3   0.169577D+01  0.294090D+01  0.405973D+01 -0.511661D+00  0.511758D+01
                26            27            28            29            30 
      1   0.134350D+01  0.278051D+01  0.423622D+01  0.814131D+00 -0.195302D+00
      2  -0.691460D+01  0.225403D+01  0.391093D+02  0.491627D+01  0.130078D+01
      3   0.528219D+01  0.255224D+01  0.157299D+02  0.114407D+02 -0.109021D+01
                31            32            33            34            35 
      1   0.649627D+01 -0.642854D+01  0.359254D+01 -0.177460D+01  0.168161D+02
      2   0.504073D+01  0.959935D+00  0.237649D+00 -0.181680D+02 -0.202494D+01
      3   0.336731D+02  0.115857D+01  0.381235D+01 -0.434867D+01 -0.149416D+01
                36            37            38            39            40 
      1  -0.290816D+01  0.247234D+01 -0.621970D+01 -0.554546D+01 -0.328034D+01
      2   0.107319D+01  0.100195D+01  0.706580D+00  0.306650D+01  0.708555D+01
      3  -0.132031D+00  0.322473D+02  0.364173D+00 -0.320979D+00 -0.320041D+01
                41            42            43            44            45 
      1   0.621247D+01 -0.147600D+01 -0.173742D+02  0.812793D+01  0.145802D+01
      2   0.243106D+01  0.108164D+01 -0.843680D+01  0.813362D+01  0.592343D+00
      3   0.667143D+01 -0.293123D+01 -0.121290D+01 -0.232312D+01  0.739893D+01
                46            47            48            49            50 
      1  -0.614028D+01  0.755233D+00  0.558720D+01 -0.302473D+01 -0.504313D+01
      2  -0.586837D+01 -0.851835D+00  0.801629D+00 -0.532439D+00 -0.899844D+00
      3  -0.554168D+02 -0.325500D+02  0.653297D+01 -0.112957D+02 -0.270454D+02
                51            52            53            54            55 
      1  -0.362538D+01  0.851380D+01 -0.524224D+01 -0.287131D+01 -0.147923D+01
      2   0.955013D+00 -0.177793D+02  0.218188D+01  0.433923D+00 -0.832511D+01
      3   0.386369D+01  0.894150D+01  0.631236D+01 -0.745097D+01 -0.304618D+02
                56            57            58            59            60 
      1  -0.608238D+01  0.593287D+01  0.948458D+00 -0.379222D+01 -0.303146D+01
      2  -0.386818D+01 -0.591035D+01 -0.497805D+01 -0.383984D+01  0.392303D+01
      3  -0.353600D+02  0.489845D+01 -0.323932D+01 -0.310697D+02  0.188275D+01
                61            62            63            64            65 
      1   0.514060D+01 -0.258483D+01 -0.815625D+00  0.378131D+00  0.718474D+00
      2  -0.231540D+02  0.631662D+01  0.114036D+01 -0.714633D+00 -0.343225D+00
      3   0.443972D+01  0.614742D+01 -0.119072D+02 -0.112742D+01  0.164019D+01
                66            67            68            69            70 
      1   0.502271D+00 -0.440501D+00  0.168729D+01 -0.332902D+01  0.217329D+00
      2  -0.156821D+00 -0.832868D+00  0.858393D+00 -0.116499D+01 -0.247650D+01
      3   0.117480D+00  0.533880D+01  0.426545D+01 -0.596363D+00 -0.521035D-01
                71            72            73            74            75 
      1   0.210158D+01 -0.192905D+00 -0.201856D+00 -0.124231D+01 -0.219499D+01
      2   0.121534D+01 -0.517041D-01  0.365564D+01  0.132458D+01  0.164882D+01
      3  -0.438752D+00 -0.855013D+00  0.950946D+01  0.154052D+00 -0.904515D+00
                76            77            78            79            80 
      1  -0.150597D+01 -0.209206D+01 -0.260274D+01  0.324091D+01  0.134495D+01
      2   0.189371D+01  0.150540D+01  0.222098D+01 -0.330661D+01 -0.283010D-01
      3   0.171729D+01 -0.143290D+01 -0.170574D+00 -0.181786D+01  0.217421D+00
                81            82            83            84            85 
      1  -0.257523D+00 -0.120830D+01  0.153011D+01  0.116279D+01  0.366605D+00
      2  -0.618799D+00 -0.763676D+00  0.879505D+00  0.653481D+00  0.692552D+00
      3  -0.127911D+01 -0.521277D+01  0.278811D+01  0.495161D-01  0.517049D+01
                86            87            88            89            90 
      1  -0.425247D+01 -0.443080D+01 -0.114790D+01  0.273478D+01  0.368098D+00
      2  -0.134917D+01 -0.821302D+00 -0.498336D+00 -0.105033D+01  0.212139D+00
      3  -0.410908D+01  0.750706D+00  0.612088D+00  0.495432D+00  0.104407D+01
                91            92            93            94            95 
      1  -0.131485D+01  0.109303D+01 -0.180054D+00 -0.252980D+01 -0.338186D+00
      2  -0.282768D+02 -0.288084D+01 -0.110707D+02  0.173569D+01  0.861436D+01
      3  -0.140506D+01 -0.292937D+01 -0.862045D+00  0.187456D+02 -0.690050D+01
                96            97            98            99           100 
      1  -0.342136D+01 -0.265270D+01  0.307882D+01  0.362763D+01  0.606411D+00
      2  -0.937196D+00 -0.471217D+02 -0.688011D+01 -0.727855D+01 -0.248024D+01
      3  -0.133307D+02 -0.283992D+01 -0.138424D+02  0.647155D+01  0.116262D+02
               101           102           103           104           105 
      1  -0.352199D+01  0.414193D+01 -0.102723D+01 -0.402851D+01  0.609215D+01
      2   0.496048D+01  0.178242D+02  0.134624D+01 -0.916553D+01  0.447987D+01
      3  -0.178160D+02 -0.709148D+01 -0.120476D+02  0.819137D+00  0.149645D+02
               106           107           108           109           110 
      1   0.604770D-01  0.107125D+02  0.182119D+01 -0.675031D+01 -0.217028D+01
      2   0.907510D+01  0.102635D+02  0.153787D+02  0.243251D+02  0.280502D+01
      3  -0.553182D+01  0.102912D+02 -0.160170D+02  0.172996D+01  0.163231D+02
               111           112           113           114           115 
      1   0.405118D+01 -0.140835D+02 -0.369037D+01 -0.178466D+02  0.418469D+01
      2   0.317227D+01 -0.188085D+01  0.236937D+00 -0.287480D+01  0.303254D+02
      3   0.265831D+00  0.130999D+02  0.904686D+01  0.336121D+01  0.155339D+01
               116           117           118           119           120 
      1  -0.450375D+01  0.187577D+01 -0.680842D+00 -0.136636D+01  0.480938D+00
      2  -0.131483D+00  0.160241D+01 -0.368759D+01 -0.879430D+00  0.630246D+01
      3   0.523859D+01 -0.128836D+01 -0.787319D+01 -0.635067D+01  0.225667D+01
               121           122           123           124           125 
      1   0.565363D-01 -0.230218D+01  0.482880D+00  0.323901D+00  0.286002D+01
      2   0.474001D+00 -0.531867D+01  0.579924D+01  0.691598D+01  0.493258D+01
      3  -0.191508D+01 -0.888859D+01  0.725387D+01  0.236608D+01  0.887829D+01
               126           127           128           129           130 
      1  -0.102565D+01 -0.113569D+01  0.152395D+01 -0.284848D+01  0.264232D+00
      2  -0.922743D+01 -0.767092D+01 -0.330059D+01 -0.101022D+02  0.200866D+00
      3  -0.652206D+01  0.378056D+01  0.520960D+01  0.664436D+01  0.324366D+01
               131           132           133           134           135 
      1   0.956222D-01 -0.226513D+01 -0.179394D+01  0.134247D+01 -0.779227D+01
      2  -0.379262D+01 -0.488131D+01 -0.607058D+01 -0.862703D+01 -0.262655D+02
      3   0.442117D+01  0.448006D+01  0.296891D+01  0.661156D+01  0.132972D+02
               136           137           138           139           140 
      1   0.187490D+01  0.147554D+01 -0.223239D+01  0.413688D+00  0.805880D+01
      2   0.211858D+01 -0.597701D+00 -0.210166D+01 -0.559639D+00  0.560817D+01
      3   0.530372D+01  0.510626D+01 -0.177659D+01  0.336926D+01  0.179522D+02
               141           142           143           144           145 
      1  -0.732115D+01 -0.430174D+00 -0.518959D+01  0.682336D+01  0.331147D+00
      2  -0.535954D+01 -0.179266D+01 -0.553974D+01  0.547085D+01  0.727098D+01
      3  -0.725461D+01 -0.188488D+01 -0.118576D+02  0.847122D+01 -0.644461D+01
               146           147           148           149           150 
      1  -0.175604D+01  0.185828D+01 -0.119675D+01  0.776567D+00 -0.130638D+01
      2  -0.394209D+00  0.572037D+01 -0.142708D+01  0.187525D+01 -0.359527D+00
      3  -0.618057D+01 -0.213060D+00 -0.127154D+01  0.100942D+01 -0.143895D+01
               151           152           153           154           155 
      1   0.126142D+01 -0.508876D+00 -0.446244D+00  0.522332D+01  0.202845D+01
      2   0.259888D+01 -0.155480D+01 -0.251761D+01 -0.999070D+01  0.969627D-01
      3   0.130994D+01 -0.125549D+01  0.589007D+00 -0.749995D+01 -0.262097D+02
               156           157           158           159           160 
      1  -0.394248D+01  0.102504D+02  0.267115D+01  0.141950D+01 -0.195370D+01
      2   0.230446D+02  0.338214D+01 -0.103054D+01  0.410186D+01  0.755567D+01
      3  -0.141023D+01 -0.171440D+02 -0.115795D+02 -0.215126D+01 -0.675075D+00
               161           162           163           164           165 
      1   0.304454D+01 -0.283874D+00  0.680851D+01  0.200146D+01  0.132856D+01
      2   0.313972D+01  0.258073D+01 -0.100959D+02 -0.298801D+01  0.142287D+01
      3  -0.268863D+01 -0.182226D+01 -0.323952D+01 -0.295060D+01  0.599480D+00
               166           167           168           169           170 
      1   0.530402D+01 -0.436271D+00  0.526228D+01  0.209103D+01  0.797615D+01
      2  -0.254425D+01  0.623723D+01  0.394407D+00 -0.122692D+02  0.474739D+00
      3   0.179309D+01  0.604998D+00 -0.597145D+01  0.146664D+01 -0.286364D+01
               171           172           173           174           175 
      1  -0.141892D+01 -0.656731D+01 -0.155814D+01 -0.233379D+01 -0.612936D+01
      2   0.231816D+02  0.227011D+02  0.162822D+01 -0.640123D+01  0.351329D+01
      3   0.674797D+00  0.263633D+01  0.160313D+01 -0.448915D-01  0.481882D+01
               176           177           178           179           180 
      1   0.290992D+00 -0.291079D+01 -0.212770D+01 -0.120158D+01 -0.685000D+00
      2   0.231007D+01 -0.968354D+00 -0.137071D+01  0.621048D+00  0.164229D+01
      3  -0.417141D-02 -0.108127D+01  0.380510D+00  0.106515D+01  0.130160D+00
               181           182           183           184           185 
      1  -0.401895D+00  0.448773D+01 -0.654787D+01 -0.324548D+01  0.294333D+00
      2   0.980561D+00  0.195043D+01  0.835502D+01 -0.679128D+01  0.285187D+01
      3   0.174626D+02  0.622949D+01 -0.258869D+01 -0.187986D+02  0.884046D+01
               186           187           188           189           190 
      1  -0.123605D+01 -0.125278D+02  0.616761D+01  0.262568D+01  0.303044D+01
      2   0.495189D+01 -0.368019D+01  0.118948D+02 -0.413541D+01 -0.114897D+02
      3   0.420773D+00  0.219851D+01 -0.379371D+01  0.285435D+00  0.116099D+02
               191           192           193           194           195 
      1   0.805054D+01  0.813511D+00  0.766921D+01  0.708642D+01  0.254427D+01
      2  -0.623152D+00  0.277950D+01  0.321676D+01 -0.251642D+01 -0.141823D+01
      3   0.227818D+02 -0.407782D+01  0.514007D+02  0.104600D+02 -0.665272D+01
               196           197           198           199           200 
      1  -0.148686D+01  0.135704D+02 -0.195253D+01 -0.574263D+00 -0.705021D+01
      2   0.393324D+01 -0.447463D+01 -0.238073D+01  0.165920D+02 -0.875457D+00
      3  -0.774323D+01 -0.527022D+01  0.460132D-01  0.101266D+02 -0.407511D+02
               201           202           203           204           205 
      1   0.406311D+00 -0.110707D+01 -0.391751D+01 -0.305105D+01  0.774863D+01
      2   0.220711D+01  0.335044D+01 -0.203513D+01 -0.567872D+01 -0.202902D+02
      3   0.401145D+01 -0.322492D+01 -0.139583D+02  0.380230D+01  0.116982D+01
               206           207           208           209           210 
      1   0.304608D+01 -0.133917D+01 -0.277066D+01 -0.741905D+01 -0.113561D+01
      2  -0.176267D+02  0.457191D+01  0.124569D+01 -0.171878D+01  0.135991D+02
      3   0.901796D+01  0.769389D+01 -0.783113D+01 -0.446137D+02  0.435893D+01
               211           212           213           214           215 
      1  -0.709862D-01  0.281119D+00 -0.509328D+01 -0.201086D+01 -0.147932D+01
      2  -0.133790D+01  0.488296D+00  0.759811D+01 -0.730967D+01 -0.140629D+01
      3  -0.386538D+01  0.110240D+02 -0.885339D+00  0.305894D+01  0.494382D+01
               216           217           218           219           220 
      1   0.131605D+01 -0.818290D+00  0.295967D+01  0.981613D+00  0.501168D+01
      2  -0.104391D+01 -0.697824D+01 -0.440622D+01 -0.141778D+01 -0.418145D+01
      3   0.254788D+01 -0.329698D+02  0.132844D+02  0.660910D+01  0.335656D+02
               221           222           223           224           225 
      1   0.400809D+01  0.476629D+01  0.133831D+02  0.692186D+01 -0.368265D+00
      2  -0.402211D+01 -0.410111D+02 -0.216873D+02 -0.311231D+02  0.148529D+02
      3   0.258204D+02  0.118404D+01  0.526065D+01  0.172355D+01  0.313427D+02
               226           227           228           229           230 
      1  -0.292605D+00  0.476917D+00  0.112060D+01 -0.164312D+00  0.385273D+00
      2  -0.623632D+00  0.112250D+00  0.461678D+00  0.576247D+00 -0.207097D+01
      3  -0.722396D+01  0.558821D+01  0.207380D+00  0.521943D+01 -0.203961D+02
               231           232           233           234           235 
      1  -0.441530D+01 -0.185889D+00  0.278801D+01  0.208377D+00  0.170208D+01
      2   0.485429D+00  0.537161D-01 -0.338940D+00 -0.324765D-01 -0.189383D+01
      3   0.179223D+01  0.387516D+00  0.120410D+01  0.535316D+00  0.531206D+01
               236           237           238           239           240 
      1   0.166730D+00 -0.185779D+01  0.631726D+00 -0.125774D+00 -0.271240D+01
      2  -0.137853D+01  0.188044D+01 -0.217399D+01 -0.234247D+01  0.337378D+01
      3  -0.471212D+01 -0.232344D+00 -0.550363D+01 -0.115878D+02  0.161550D+01
               241           242           243           244           245 
      1   0.235536D+01  0.105618D+01 -0.804104D-02 -0.215617D+00  0.588562D+00
      2  -0.280546D+01  0.308584D+00 -0.152020D+00 -0.496354D-01  0.657883D+00
      3  -0.253903D+00  0.152428D+01 -0.130096D+01  0.409357D+01 -0.381790D+01
               246           247           248           249           250 
      1   0.118557D+01  0.374825D+00 -0.472578D+00 -0.391514D+01 -0.301084D+00
      2   0.134011D+01  0.235088D+00  0.605609D+00 -0.307485D+01 -0.222099D+01
      3  -0.308077D+00 -0.290902D+01  0.204959D+02 -0.131891D+01 -0.227974D-01
               251           252           253           254           255 
      1   0.172983D+01  0.762398D-01 -0.103857D+01  0.268961D+00  0.109348D+01
      2   0.359902D+00  0.199211D+00 -0.594814D+01  0.973153D+00 -0.291311D+01
      3  -0.201391D+01 -0.234325D+00 -0.963238D+00  0.107319D+01 -0.120178D+01
               256           257           258           259           260 
      1  -0.927537D-01 -0.116966D+01 -0.201385D+01 -0.232274D+01  0.228279D+01
      2  -0.577050D+01 -0.111920D+02  0.184249D+02  0.161326D+02  0.183818D+02
      3  -0.976472D+01 -0.175607D+02  0.128829D+02  0.709856D+01  0.145736D+02
               261           262           263           264           265 
      1   0.375290D+01 -0.250813D+00 -0.363815D+00 -0.164734D+00 -0.313984D+01
      2  -0.382631D+02  0.934034D+01  0.319057D+01  0.133843D+01  0.904356D+01
      3  -0.199089D+02 -0.510136D+01 -0.323898D+01 -0.256554D+01 -0.161843D+02
               266           267           268           269           270 
      1  -0.305503D+01 -0.443413D+01 -0.444819D+01 -0.116380D+01 -0.536265D+01
      2   0.127344D+02  0.167298D+02  0.145995D+02  0.171196D+02  0.213549D+02
      3  -0.262270D+02 -0.126848D+02 -0.108278D+02 -0.177402D+02 -0.167824D+02
               271           272           273           274           275 
      1   0.176535D+01 -0.110536D+01  0.177011D+00 -0.139436D+01  0.779983D+00
      2  -0.781192D-01  0.537533D+00  0.854655D+01  0.102109D+01  0.290792D+00
      3   0.233914D+02 -0.128488D+02 -0.229192D+01 -0.157434D+02  0.117238D+02
               276           277           278           279 
      1  -0.891762D+00 -0.135544D+01  0.238055D+00  0.155450D+00
      2  -0.298770D+01  0.807457D+01  0.407928D+00 -0.225796D+01
      3   0.882545D+00 -0.193770D+01  0.165168D+00 -0.229205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.882118D+02 -0.403978D+02  0.107784D+02  0.890060D+02 -0.314019D+01
      2   0.467578D+02  0.218842D+02 -0.721647D+01 -0.450016D+02  0.671736D+01
      3   0.414540D+02  0.185136D+02 -0.356190D+01 -0.440044D+02 -0.357718D+01
      4  -0.406926D+02 -0.140454D+01  0.270454D+01 -0.347731D+01  0.607724D+01
      5   0.165303D+02  0.223227D+01 -0.201161D+01  0.837721D+00  0.174753D+01
      6   0.201478D+01 -0.309044D+01  0.304528D+00  0.310860D+01  0.226723D+01
                 6             7             8             9            10 
      1  -0.969177D+01  0.297623D+01  0.381309D+01 -0.994075D+01  0.858932D+02
      2   0.395538D+01 -0.307643D+01 -0.313977D+01 -0.773159D+00 -0.369896D+02
      3   0.573639D+01  0.100205D+00 -0.673326D+00  0.107139D+02 -0.489036D+02
      4  -0.729351D-01  0.460033D+01  0.545900D+00 -0.615246D+00  0.198571D+02
      5  -0.100771D+01 -0.110727D+01  0.119828D+01  0.310353D+01 -0.154618D+02
      6  -0.115015D+01 -0.309598D+01  0.371071D+01  0.217381D+01 -0.249588D+00
                11            12            13            14            15 
      1   0.282875D+01 -0.106639D+02 -0.991723D+02 -0.244099D+02  0.106453D+02
      2  -0.240975D+01  0.354171D+01  0.445213D+02  0.214958D+02 -0.751473D+01
      3  -0.419003D+00  0.712222D+01  0.546509D+02  0.291410D+01 -0.313053D+01
      4  -0.369067D+01 -0.259196D+01 -0.186202D+02 -0.154854D+02  0.227259D+01
      5  -0.128757D+01 -0.828572D+01  0.605677D+00 -0.672564D+00  0.119661D+01
      6   0.819932D+00 -0.178445D+00 -0.562686D+00 -0.508723D+01 -0.150789D+01
                16            17            18            19            20 
      1  -0.818400D+00  0.924146D+00 -0.947279D+01  0.576487D+02  0.503484D+02
      2  -0.168531D+01 -0.542456D+00 -0.489451D+00 -0.304553D+02 -0.332658D+02
      3   0.250371D+01 -0.381690D+00  0.996224D+01 -0.271934D+02 -0.170825D+02
      4  -0.462517D+00  0.287894D+01 -0.248502D+01  0.408499D+02 -0.307810D+01
      5   0.128344D-01 -0.227695D+01  0.424544D+01 -0.154407D+02 -0.480508D+01
      6  -0.231845D+01  0.482271D+01  0.569144D+00 -0.206557D+01  0.951112D+01
                21            22            23            24            25 
      1  -0.166332D+02 -0.111790D+02  0.249152D+02 -0.962147D+01 -0.887043D+01
      2   0.910953D+01  0.183496D+02 -0.285716D+02  0.542577D+01 -0.808662D+00
      3   0.752367D+01 -0.717066D+01  0.365635D+01  0.419570D+01  0.967909D+01
      4  -0.401585D+01  0.199332D+02  0.119349D+01 -0.179368D+01 -0.129400D+02
      5  -0.253706D+01 -0.767507D+01 -0.195597D+01 -0.655928D+01  0.100277D+02
      6  -0.142415D+01 -0.363832D+01  0.854943D+01  0.542617D+01  0.607918D+00
                26            27            28            29            30 
      1  -0.178776D+02 -0.525931D+01  0.177117D+02 -0.267533D+01  0.131471D+02
      2   0.101341D+02 -0.535663D+01 -0.271900D+02  0.470726D+01 -0.581590D+01
      3   0.774352D+01  0.106159D+02  0.947828D+01 -0.203193D+01 -0.733121D+01
      4  -0.180793D+01 -0.344356D+01 -0.136648D+02  0.960183D+01 -0.147532D+01
      5  -0.827981D+01  0.447334D+01  0.164010D+02 -0.165988D+01  0.834847D+01
      6   0.847016D+01  0.371647D+01  0.439430D+01 -0.502359D+01  0.167705D+01
                31            32            33            34            35 
      1  -0.343683D+02 -0.667242D+02  0.963500D+01  0.183810D+02  0.110416D+02
      2   0.270123D+02  0.564741D+02 -0.108752D+02 -0.195352D+01 -0.796027D+01
      3   0.735608D+01  0.102501D+02  0.124019D+01 -0.164275D+02 -0.308136D+01
      4  -0.387100D+02  0.665540D+00 -0.143109D+01  0.927072D+01 -0.292040D+01
      5   0.115087D+02  0.180973D+01  0.312814D+00  0.245873D+02  0.421468D+01
      6   0.636022D+00 -0.156198D+02 -0.926005D+00 -0.703446D+00  0.576103D+01
                36            37            38            39            40 
      1  -0.779770D+01 -0.109872D+02 -0.710171D+02  0.115387D+02  0.279464D+02
      2  -0.660190D+01  0.542547D+01  0.544293D+02 -0.321501D+01 -0.296526D+02
      3   0.143996D+02  0.556175D+01  0.165878D+02 -0.832370D+01  0.170620D+01
      4  -0.138687D+01 -0.601884D+01 -0.111058D+02  0.530110D+01  0.108710D+02
      5  -0.209594D+01 -0.346569D+01  0.979644D+01  0.542337D+01  0.248797D+01
      6   0.692090D+00  0.460369D+01 -0.100089D+02  0.131303D+02  0.572132D+01
                41            42            43            44            45 
      1   0.407264D+02 -0.453502D+01  0.544574D+01  0.896089D+01 -0.175410D+02
      2  -0.358721D+02  0.611870D+01  0.785062D+01 -0.916223D+00  0.366339D+00
      3  -0.485428D+01 -0.158368D+01 -0.132964D+02 -0.804467D+01  0.171746D+02
      4  -0.138820D+02  0.369114D+01  0.105085D+02  0.551375D+01  0.824666D+01
      5   0.619652D+00  0.547546D+01  0.167671D+02  0.503097D+01 -0.662947D+01
      6   0.120808D+02 -0.129184D+01  0.185705D+02  0.108773D+02 -0.843678D+01
                46            47            48            49            50 
      1   0.166703D+02  0.488045D+02 -0.132189D+02 -0.221540D+02 -0.427160D+01
      2  -0.122913D+02 -0.350519D+02  0.405658D+01  0.178281D+02 -0.826895D+01
      3  -0.437900D+01 -0.137526D+02  0.916229D+01  0.432593D+01  0.125405D+02
      4  -0.525515D+01 -0.562792D+01  0.576858D+00  0.273569D+01  0.142334D+02
      5   0.128097D+02 -0.141708D+01 -0.190068D+01  0.322477D+01 -0.103421D+01
      6   0.647595D-01  0.133683D+02 -0.122083D+02 -0.319969D+01  0.421455D+01
                51            52            53            54            55 
      1   0.828385D+00 -0.272973D+01 -0.588416D+01 -0.243943D+02  0.189214D+02
      2   0.373828D+01  0.344942D+00  0.145113D+02  0.119526D+02 -0.159034D+02
      3  -0.456667D+01  0.238479D+01 -0.862714D+01  0.124417D+02 -0.301802D+01
      4  -0.181999D+01 -0.441798D-02  0.183129D+01 -0.405226D+01  0.279504D+02
      5  -0.577951D+00  0.304181D+01  0.431132D-01  0.430155D+01 -0.132929D+02
      6   0.917897D+01 -0.359653D+01  0.235827D+02 -0.556718D+01 -0.301854D+01
                56            57            58            59            60 
      1   0.505746D+02 -0.105254D+02  0.252640D+01  0.212204D+02 -0.399654D+01
      2  -0.307411D+02  0.417056D+01  0.316159D+01 -0.224615D+02  0.390492D+01
      3  -0.198335D+02  0.635481D+01 -0.568798D+01  0.124115D+01  0.916142D-01
      4  -0.372931D+02 -0.167763D+00  0.313685D+02  0.190475D+02 -0.154755D+01
      5  -0.900198D+00 -0.118422D+02 -0.488762D+01 -0.190884D+00  0.554899D+01
      6   0.364490D+01 -0.985444D+01 -0.152731D+01  0.513686D+01  0.852203D+01
                61            62            63            64            65 
      1  -0.419962D+01 -0.916379D+01 -0.207530D+02  0.210665D+01 -0.422313D+00
      2   0.283667D+01  0.988042D+01  0.810393D+01  0.124348D+01 -0.103666D+01
      3   0.136295D+01 -0.716630D+00  0.126491D+02 -0.335013D+01  0.145897D+01
      4  -0.437223D+01  0.834697D+01  0.133868D+02 -0.730258D+01  0.931954D+01
      5   0.235569D+01  0.154251D+02  0.166987D+01 -0.299965D+01  0.149597D+01
      6   0.156479D+01  0.216839D+02  0.253398D+00  0.187660D+01 -0.163138D+01
                66            67            68            69            70 
      1  -0.835961D+00  0.441970D+01 -0.221761D+02 -0.265715D-01 -0.309313D+01
      2   0.418114D+00 -0.808828D+01  0.280456D+02  0.395788D-02  0.235840D+01
      3   0.417847D+00  0.366858D+01 -0.586956D+01  0.226136D-01  0.734732D+00
      4   0.585964D+00  0.124641D+02 -0.181884D+02 -0.267851D+00  0.557536D+00
      5   0.845487D+00  0.136246D+01 -0.375831D+00 -0.198617D+01  0.170285D+00
      6  -0.445445D+00 -0.235985D+01  0.414223D+01  0.453727D+01 -0.196876D+01
                71            72            73            74            75 
      1   0.263016D+01 -0.294629D+01  0.472948D+01 -0.351087D+01  0.126501D+01
      2  -0.226777D+01  0.308743D+01  0.511112D+01  0.109805D+02 -0.137629D+01
      3  -0.362384D+00 -0.141136D+00 -0.984061D+01 -0.746958D+01  0.111288D+00
      4   0.809949D+00 -0.697166D+00  0.286639D+02  0.241565D+02 -0.559777D+01
      5   0.238548D+00 -0.115556D+00 -0.909875D+01 -0.576388D+01  0.538303D+01
      6   0.209192D+01 -0.578971D+00 -0.785531D+01 -0.712933D+01  0.441798D+01
                76            77            78            79            80 
      1  -0.811935D+01 -0.154345D+02  0.421386D+01 -0.628006D+00  0.225477D+01
      2   0.170636D+02  0.260052D+02 -0.410552D+01 -0.274825D+01 -0.317117D+01
      3  -0.894422D+01 -0.105708D+02 -0.108332D+00  0.337626D+01  0.916400D+00
      4   0.276157D+02  0.316202D+02 -0.621588D+01 -0.667913D+01 -0.564768D+01
      5  -0.611450D+01 -0.651290D+01  0.464596D+01  0.146412D+01  0.351677D+01
      6  -0.909409D+01 -0.110407D+02  0.714483D+01  0.464603D+00  0.445412D+01
                81            82            83            84            85 
      1  -0.642131D+00 -0.583804D+01  0.970597D+01 -0.220377D+00  0.642690D+01
      2   0.162648D+01  0.835995D+01 -0.140174D+02  0.455073D+00 -0.777704D+01
      3  -0.984348D+00 -0.252192D+01  0.431147D+01 -0.234696D+00  0.135014D+01
      4   0.359568D+01 -0.516041D+01  0.138177D+02 -0.122609D+01  0.746591D+01
      5  -0.171112D+01  0.162880D+01 -0.263923D+01  0.212840D+01 -0.149194D+01
      6  -0.215709D+01 -0.174072D+01  0.200528D+01 -0.177106D+01  0.208360D+01
                86            87            88            89            90 
      1  -0.562065D+02  0.643218D+01 -0.228347D+00  0.453048D+01 -0.196747D+01
      2   0.747316D+02 -0.632407D+01  0.694129D+00 -0.565728D+01  0.234211D+01
      3  -0.185251D+02 -0.108108D+00 -0.465782D+00  0.112680D+01 -0.374641D+00
      4  -0.156236D+02  0.176914D+01 -0.105238D+01 -0.497747D+00 -0.137641D+01
      5   0.497182D+01 -0.160451D+01  0.100020D+01 -0.178637D+01  0.595801D-01
      6  -0.146483D+02  0.901071D+01  0.514426D+00  0.420034D+01 -0.139674D+01
                91            92            93            94            95 
      1  -0.444593D+02 -0.205499D+02 -0.129511D+02 -0.811391D+01 -0.480297D+00
      2   0.374453D+02  0.173534D+02  0.663419D+01  0.102948D+02 -0.337419D-01
      3   0.701404D+01  0.319649D+01  0.631687D+01 -0.218087D+01  0.514039D+00
      4  -0.113531D+02 -0.121593D+02  0.233764D+01 -0.243238D+02  0.128544D+02
      5  -0.178927D+02  0.182015D+01 -0.255059D+02  0.827698D+01  0.277601D+02
      6   0.239570D+00  0.542102D+01  0.514635D+00  0.806624D+01 -0.459701D+01
                96            97            98            99           100 
      1   0.106214D+02 -0.380031D+02 -0.149953D+01 -0.219043D+02 -0.613990D+02
      2  -0.111781D+02  0.282076D+02 -0.469372D+01  0.141288D+02  0.332390D+02
      3   0.556677D+00  0.979555D+01  0.619325D+01  0.777548D+01  0.281600D+02
      4   0.278676D+02  0.200056D+01  0.231755D+02 -0.105455D+02  0.301195D+02
      5  -0.220861D+01 -0.491785D+02 -0.130648D+02 -0.368941D+00  0.308247D+02
      6  -0.103138D+02 -0.686881D+01 -0.268235D+01  0.724366D+01 -0.647110D+01
               101           102           103           104           105 
      1   0.288065D+02  0.290808D+02  0.560926D+01  0.523190D+01 -0.533091D+01
      2  -0.204524D+02 -0.638965D+01 -0.821191D+01 -0.464176D+01  0.202674D+02
      3  -0.835418D+01 -0.226911D+02  0.260265D+01 -0.590141D+00 -0.149365D+02
      4   0.112609D+02 -0.527976D+00  0.185310D+02 -0.160062D+02 -0.273080D+02
      5  -0.106560D+00  0.220314D+02  0.272559D+01 -0.283475D+02  0.477642D+01
      6  -0.445726D+01 -0.135669D+02 -0.811465D+01  0.146318D+02 -0.524296D+00
               106           107           108           109           110 
      1   0.201242D+02  0.197106D+01  0.392766D+02 -0.105032D+03 -0.152893D+02
      2  -0.871527D+01  0.154836D+02 -0.153759D+02  0.420573D+02  0.163441D+01
      3  -0.114089D+02 -0.174546D+02 -0.239007D+02  0.629749D+02  0.136549D+02
      4   0.318762D+01 -0.186347D+02  0.101087D+02 -0.282872D+02 -0.236102D+02
      5   0.144499D+02  0.160085D+02  0.148807D+02 -0.224218D+02 -0.793812D+01
      6  -0.773131D+01 -0.721659D+01 -0.164580D+02 -0.244861D+01 -0.304278D+01
               111           112           113           114           115 
      1  -0.145822D+02 -0.136899D+02 -0.859389D+01 -0.660149D+01  0.549782D+02
      2   0.400487D+01  0.237136D+01  0.706515D+01  0.164220D+01 -0.429964D+02
      3   0.105774D+02  0.113185D+02  0.152874D+01  0.495929D+01 -0.119818D+02
      4  -0.641683D+01  0.119881D+02 -0.970229D+01 -0.306547D+01 -0.369951D+01
      5  -0.901260D+01 -0.693297D+01 -0.386572D+01 -0.122672D+01  0.482691D+02
      6  -0.235085D+01 -0.517867D+01  0.272528D+00  0.375659D+01  0.929734D+01
               116           117           118           119           120 
      1   0.224186D+01  0.341120D+02  0.180890D+02  0.984880D+01 -0.692949D+01
      2  -0.332346D+01 -0.130105D+02 -0.133345D+02 -0.734238D+01  0.599634D+01
      3   0.108160D+01 -0.211016D+02 -0.475443D+01 -0.250642D+01  0.933148D+00
      4  -0.775436D+00  0.438868D+01  0.161442D+02  0.129679D+02 -0.601121D+01
      5   0.593840D+01  0.580878D+01 -0.176750D+02 -0.704534D+01  0.180333D+02
      6  -0.223577D+01 -0.941826D+00 -0.589754D+01 -0.324034D+01  0.322644D+01
               121           122           123           124           125 
      1   0.197574D+02  0.242801D+01 -0.194528D+01 -0.825746D+01 -0.101116D+01
      2  -0.130594D+02 -0.130518D+01  0.388121D+01  0.889605D+01  0.501723D+01
      3  -0.669807D+01 -0.112283D+01 -0.193593D+01 -0.638597D+00 -0.400608D+01
      4   0.156885D+02  0.194034D+02 -0.161357D+02 -0.812814D+01 -0.165786D+02
      5  -0.140312D+02 -0.167438D+02  0.146537D+02  0.258336D+02  0.135613D+02
      6  -0.531739D+01 -0.891364D+01  0.917447D+01  0.561384D+01  0.786557D+01
               126           127           128           129           130 
      1   0.237314D+01 -0.554628D+01 -0.104301D+02 -0.217689D+02 -0.552601D+00
      2  -0.110122D+02  0.886695D-02  0.634675D+01  0.438525D+01 -0.636934D-01
      3   0.863904D+01  0.553741D+01  0.408337D+01  0.173836D+02  0.616295D+00
      4   0.132679D+02  0.320148D+00 -0.535138D+01 -0.151163D+01  0.322019D+00
      5  -0.282031D+02 -0.474393D+01 -0.418525D+01 -0.103008D+02  0.974677D+00
      6  -0.834421D+01  0.378111D+01  0.626824D+01  0.115062D+02  0.137093D+01
               131           132           133           134           135 
      1  -0.104150D+02 -0.873437D+01 -0.115319D+02 -0.130782D+02 -0.403324D+02
      2   0.621147D+01  0.347744D+01  0.410582D+01  0.354021D+01 -0.157785D+01
      3   0.420357D+01  0.525694D+01  0.742610D+01  0.953802D+01  0.419103D+02
      4  -0.479368D+01 -0.425666D+01  0.709316D+01 -0.109208D+02 -0.123372D+02
      5  -0.411608D+01 -0.687525D+01  0.526715D+01 -0.161448D+02 -0.420554D+02
      6   0.715881D+01  0.120237D+02  0.446875D+00  0.157834D+02  0.301753D+02
               136           137           138           139           140 
      1   0.701226D+00 -0.934746D+01  0.109046D+01 -0.675109D+01 -0.168714D+02
      2   0.218825D+01  0.896049D+01 -0.312097D+01  0.222690D+01  0.309031D+02
      3  -0.288948D+01  0.386969D+00  0.203052D+01  0.452419D+01 -0.140317D+02
      4  -0.307361D+01 -0.342936D+01 -0.720299D+00  0.816102D+01 -0.279710D+02
      5   0.183248D+01  0.114238D+01 -0.452932D+01  0.179483D+01  0.119258D+02
      6  -0.148137D+01  0.518612D+00  0.331889D+01 -0.321162D-01 -0.353760D+01
               141           142           143           144           145 
      1   0.574490D+01  0.469234D+01  0.695137D+01 -0.102886D+02  0.972258D+02
      2  -0.130557D+02 -0.143977D+01 -0.166180D+02  0.108589D+02 -0.492624D+02
      3   0.731078D+01 -0.325257D+01  0.966664D+01 -0.570320D+00 -0.479635D+02
      4   0.983887D+01 -0.804644D+01  0.208306D+02 -0.891799D+01 -0.542070D+02
      5  -0.115278D+02 -0.161837D+01 -0.108230D+02  0.126606D+02 -0.403426D+02
      6   0.749005D+01  0.816294D+00  0.614064D+01 -0.641082D+01  0.112454D+02
               146           147           148           149           150 
      1  -0.196376D+02 -0.149755D+02 -0.960151D+01  0.844704D+01  0.110009D+01
      2   0.601682D+01  0.101051D+02  0.103892D+01 -0.136529D+01 -0.121869D+01
      3   0.136208D+02  0.487043D+01  0.856260D+01 -0.708175D+01  0.118597D+00
      4   0.252240D+02  0.110872D+02  0.174753D+02 -0.899239D+01 -0.896621D+00
      5   0.109963D+02  0.195932D+02  0.291944D+01 -0.235782D+01 -0.167535D+01
      6  -0.601067D+01 -0.605194D+01 -0.410037D+01  0.111995D+01  0.241566D+01
               151           152           153           154           155 
      1  -0.102266D+02  0.145953D+01  0.590290D+01  0.210990D+03  0.275475D+02
      2   0.803893D+01 -0.275087D+01 -0.543743D+01 -0.992680D+02 -0.989077D+01
      3   0.218764D+01  0.129134D+01 -0.465472D+00 -0.111722D+03 -0.176568D+02
      4   0.491807D+01 -0.427788D+00 -0.624354D+01  0.385324D+02  0.435756D+02
      5   0.171939D+02 -0.556365D+01 -0.102023D+02  0.438090D+02  0.898957D+01
      6  -0.457805D+01  0.320191D+01  0.379167D+01  0.747362D+00  0.492714D+01
               156           157           158           159           160 
      1   0.149778D+02  0.235657D+02  0.355367D+02  0.120639D+01  0.126986D+02
      2  -0.126305D+02 -0.628826D+01 -0.123082D+02 -0.821683D+00 -0.115766D+02
      3  -0.234734D+01 -0.172774D+02 -0.232285D+02 -0.384706D+00 -0.112194D+01
      4   0.690777D+01  0.514018D+02  0.263224D+02  0.594820D+01  0.545338D+01
      5   0.418815D+02  0.559788D+01  0.971164D+01  0.608332D+01  0.398883D+02
      6   0.154177D+01  0.102253D+02  0.374880D+01  0.557645D+01  0.224458D+01
               161           162           163           164           165 
      1   0.138669D+01  0.226514D+02  0.739036D+02  0.720315D+01  0.220615D+02
      2  -0.134510D+01 -0.154897D+02 -0.499058D+02 -0.288110D+01 -0.138051D+02
      3  -0.415876D-01 -0.716169D+01 -0.239978D+02 -0.432205D+01 -0.825638D+01
      4   0.284596D+01  0.604862D+01  0.884193D+01  0.652808D+01 -0.115113D+01
      5   0.678084D+01  0.121328D+02  0.444692D+02 -0.571509D+00  0.216338D+02
      6   0.453884D+01  0.199263D+01  0.410090D+01  0.864461D+00  0.557528D+00
               166           167           168           169           170 
      1   0.136522D+02 -0.106067D+02  0.127652D+00 -0.122802D+02 -0.347506D+01
      2  -0.818055D+01  0.301515D+01  0.239951D+00  0.386643D+01  0.205954D+01
      3  -0.547164D+01  0.759158D+01 -0.367603D+00  0.841379D+01  0.141552D+01
      4   0.239227D+01 -0.203504D+01  0.972015D+01 -0.302550D+01  0.473489D+01
      5   0.526027D+01  0.888836D+01 -0.506549D+00  0.920727D+01 -0.838039D+00
      6   0.264665D+01  0.387947D+00  0.116825D+02 -0.244151D+01  0.100878D+02
               171           172           173           174           175 
      1  -0.373166D+02 -0.599114D+02 -0.220792D+01  0.226301D+01 -0.877644D+01
      2  -0.950005D+01  0.382786D+02  0.131180D+01  0.880331D+01  0.672378D+01
      3   0.468166D+02  0.216328D+02  0.896126D+00 -0.110663D+02  0.205266D+01
      4  -0.206311D+01 -0.436875D+01 -0.405981D+01  0.645897D+00  0.322932D+00
      5   0.389351D+02 -0.321058D+02  0.105608D+01 -0.202354D+02 -0.355115D+01
      6  -0.847756D+00 -0.314039D+01 -0.309965D+01  0.205795D+00 -0.824350D+00
               176           177           178           179           180 
      1  -0.411898D+01  0.612786D+00 -0.189105D+02 -0.119927D+01 -0.114002D+02
      2   0.216553D+01  0.138894D+01  0.179348D+02  0.119858D+01  0.678887D+01
      3   0.195345D+01 -0.200173D+01  0.975731D+00  0.687882D-03  0.461134D+01
      4  -0.499076D+00  0.297855D+01 -0.197930D+01 -0.100290D+01 -0.829156D-01
      5   0.276928D+01 -0.297301D+01 -0.179103D+02  0.233386D+00 -0.640118D+01
      6  -0.109858D+01  0.304970D+01 -0.900190D+00  0.583008D+00 -0.116687D+01
               181           182           183           184           185 
      1  -0.567823D+01 -0.543169D+02  0.827422D+01  0.955495D+02  0.265627D+02
      2   0.591886D+01  0.379431D+02 -0.328674D+01 -0.656768D+02 -0.216532D+02
      3  -0.240628D+00  0.163739D+02 -0.498748D+01 -0.298727D+02 -0.490954D+01
      4  -0.185532D+02  0.462918D+02  0.357455D+01  0.252405D+02 -0.292433D+02
      5   0.124113D+02  0.441774D+01  0.158771D+02 -0.506496D+01  0.681656D+01
      6   0.595678D+01  0.143474D+01  0.118316D+02  0.418460D+01  0.458706D+01
               186           187           188           189           190 
      1  -0.934792D+01 -0.409845D+01  0.732362D+01  0.658512D+00  0.120015D+03
      2   0.783329D+01  0.749182D+01 -0.232291D+01 -0.889924D+01 -0.663229D+02
      3   0.151464D+01 -0.339337D+01 -0.500071D+01  0.824073D+01 -0.536919D+02
      4   0.363526D+01  0.705890D+01  0.239276D+01  0.176709D+02  0.120459D+02
      5   0.115751D+02  0.285107D+02  0.179551D+02 -0.833604D+01  0.115943D+01
      6   0.323984D+01  0.163338D+02  0.939119D+01 -0.393635D+01  0.256388D+01
               191           192           193           194           195 
      1   0.308096D+02 -0.103323D+02 -0.290743D+02 -0.205390D+02  0.785467D+01
      2  -0.191106D+02  0.245452D+01  0.277783D+02  0.247943D+02 -0.897745D+01
      3  -0.116990D+02  0.787782D+01  0.129600D+01 -0.425533D+01  0.112278D+01
      4   0.310142D+02 -0.428679D+01 -0.218836D+02  0.560219D+02 -0.323514D+01
      5  -0.572348D+01  0.693713D+01  0.834713D+01 -0.785771D+01 -0.182918D+01
      6   0.311968D+01 -0.450031D+01  0.100859D+01 -0.345218D+01 -0.515305D+01
               196           197           198           199           200 
      1   0.226066D+01  0.233639D+01  0.273382D+02 -0.111951D+03 -0.144647D+02
      2  -0.133582D+01 -0.229295D+01 -0.242428D+02  0.497943D+02  0.808633D+01
      3  -0.924840D+00 -0.434414D-01 -0.309545D+01  0.621568D+02  0.637838D+01
      4   0.663664D+01 -0.854965D+01  0.870394D+00 -0.201862D+02 -0.308335D+02
      5   0.563035D+02  0.668901D+01 -0.682827D+01  0.146763D+02  0.226077D+01
      6  -0.127624D+01  0.425174D+01  0.343308D+01 -0.263562D+01  0.155081D+01
               201           202           203           204           205 
      1   0.978378D+01 -0.835703D+02 -0.956571D+01  0.523403D+01  0.207703D+02
      2  -0.488683D+01  0.539784D+02 -0.849341D+01 -0.150655D+01 -0.126689D+02
      3  -0.489695D+01  0.295919D+02  0.180591D+02 -0.372748D+01 -0.810140D+01
      4   0.186435D+01 -0.608208D+01 -0.196386D+02 -0.102227D+01 -0.147659D-01
      5   0.398357D+01  0.591505D+01  0.709442D+00 -0.125343D+02  0.466893D+01
      6   0.107255D+00 -0.405317D+01  0.429491D+01  0.722534D+01 -0.425846D+01
               206           207           208           209           210 
      1  -0.360457D+01 -0.191467D+02  0.948442D+01 -0.328485D+02  0.666975D+01
      2   0.575894D+01  0.264777D+01 -0.600496D+01  0.184543D+02  0.853258D+00
      3  -0.215436D+01  0.164990D+02 -0.347947D+01  0.143942D+02 -0.752301D+01
      4   0.189769D+01 -0.260427D+02 -0.288900D+02  0.650891D+01  0.520729D+01
      5  -0.277376D+02  0.101567D+02 -0.547729D+00  0.507600D+01  0.259151D+02
      6   0.164559D+02 -0.404272D+00  0.930198D+00 -0.285298D+01  0.431937D+01
               211           212           213           214           215 
      1   0.799782D+01  0.169979D+02  0.518948D+00 -0.305449D+00  0.103571D+01
      2  -0.949255D+01 -0.653908D+01  0.279706D+01  0.113749D+01 -0.197590D+00
      3   0.149473D+01 -0.104588D+02 -0.331601D+01 -0.832040D+00 -0.838117D+00
      4   0.452666D+02 -0.146681D+02 -0.131449D+01 -0.201435D+01 -0.903437D-01
      5  -0.146809D+01  0.123634D+01  0.129193D+02  0.638179D+01 -0.659560D+01
      6  -0.116410D+01  0.220147D+01  0.840726D+01 -0.378376D+01  0.409550D+01
               216           217           218           219           220 
      1  -0.992153D+00 -0.504429D+02  0.536258D+02 -0.237228D+01  0.419957D+02
      2   0.133864D+01  0.284795D+02 -0.289496D+02 -0.444115D+00 -0.190955D+02
      3  -0.346488D+00  0.219634D+02 -0.246762D+02  0.281639D+01 -0.229002D+02
      4  -0.753139D+01  0.535625D+02 -0.749495D+00 -0.143888D+02 -0.429380D+02
      5  -0.396794D+01 -0.186751D+01 -0.151481D+02 -0.863402D+01 -0.152289D+02
      6  -0.144972D+01 -0.633053D+01 -0.863737D+00 -0.109614D+01 -0.125196D+01
               221           222           223           224           225 
      1  -0.154816D+02 -0.207842D+02 -0.667998D+01 -0.175216D+02 -0.233766D+01
      2   0.743703D+01  0.872502D+00 -0.278849D+01  0.226830D+01  0.423334D+01
      3   0.804455D+01  0.199117D+02  0.946847D+01  0.152533D+02 -0.189568D+01
      4  -0.252856D+02 -0.994203D+01 -0.143775D+02 -0.110288D+02 -0.520950D+02
      5  -0.112019D+02 -0.782656D+02 -0.336428D+02 -0.540883D+02  0.248405D+02
      6  -0.136753D+01 -0.161267D+02 -0.132525D+02 -0.125602D+02  0.843987D+01
               226           227           228           229           230 
      1  -0.487817D+01  0.148047D+02 -0.492662D+00  0.465027D+01 -0.513774D+02
      2   0.621692D+01 -0.146185D+02  0.574067D+00 -0.401825D+01  0.638855D+02
      3  -0.133875D+01 -0.186190D+00 -0.814044D-01 -0.632025D+00 -0.125081D+02
      4   0.175220D+01  0.477327D+01 -0.844092D+00  0.269154D+01  0.197866D+02
      5   0.199529D+00 -0.117712D+01  0.142149D+01 -0.194681D+00  0.111020D+01
      6  -0.262924D+00 -0.322778D+00 -0.127423D+01  0.313831D+00 -0.326322D+01
               231           232           233           234           235 
      1   0.412028D+01  0.366996D+00  0.317781D+01 -0.163066D+01  0.410845D+02
      2  -0.416568D+01 -0.281544D+00 -0.430187D+01  0.213362D+01 -0.152106D+02
      3   0.454061D-01 -0.854515D-01  0.112406D+01 -0.502964D+00 -0.258738D+02
      4  -0.138632D+01 -0.620338D+00 -0.264489D+01 -0.145641D+01  0.336430D+02
      5   0.147914D+01  0.176923D+01 -0.992238D+00 -0.148352D+00 -0.819457D+01
      6   0.680419D+01 -0.332946D+00  0.254538D+01 -0.731341D+00 -0.327272D+01
               236           237           238           239           240 
      1   0.138629D+02 -0.561087D+01  0.172555D+02  0.763474D+01 -0.199740D+01
      2  -0.818219D+00  0.219164D+01  0.283532D+01  0.110377D+02 -0.615629D+00
      3  -0.130447D+02  0.341924D+01 -0.200908D+02 -0.186725D+02  0.261303D+01
      4   0.258837D+02 -0.558425D+01  0.392888D+02  0.408838D+02 -0.729961D+01
      5  -0.406633D+01  0.416273D+01 -0.628585D+01 -0.493146D+01  0.545253D+01
      6  -0.252935D+01  0.202321D+01 -0.423103D+01 -0.468208D+01  0.471550D+01
               241           242           243           244           245 
      1  -0.741514D+01 -0.247373D+01 -0.559506D+00  0.782259D+00 -0.633339D+01
      2   0.163390D+01 -0.705385D+00  0.123001D+01  0.511952D+01 -0.254547D+01
      3   0.578123D+01  0.317912D+01 -0.670506D+00 -0.590178D+01  0.887886D+01
      4  -0.841612D+01 -0.705290D+01  0.279742D+01 -0.204526D+02  0.221600D+02
      5  -0.830585D+00  0.162905D+01 -0.102790D+01  0.258816D+01 -0.142471D+01
      6  -0.589684D+00  0.179403D+01 -0.924710D+00 -0.812448D+00  0.691159D-01
               246           247           248           249           250 
      1   0.995252D+00 -0.273269D+01 -0.158233D+02  0.114469D+01  0.556635D+00
      2  -0.456495D+00 -0.979304D+01  0.341796D+02 -0.972557D+00  0.175965D+00
      3  -0.538757D+00  0.125257D+02 -0.183563D+02 -0.172130D+00 -0.732600D+00
      4  -0.315253D+00  0.300029D+02 -0.558557D+02  0.316491D+01 -0.949744D+00
      5   0.290606D+01 -0.302212D+01  0.649603D+01 -0.580498D+01  0.187675D+01
      6  -0.169774D+01  0.177141D+01 -0.336879D+01  0.623392D+01 -0.228776D+01
               251           252           253           254           255 
      1   0.235887D+01 -0.155459D+01  0.689164D+00  0.153925D+01 -0.130349D+02
      2  -0.254087D+01  0.270998D+01 -0.153550D+01 -0.638894D+00  0.486576D+01
      3   0.181996D+00 -0.115539D+01  0.846338D+00 -0.900361D+00  0.816913D+01
      4   0.350593D+01 -0.139878D+01 -0.385497D+00 -0.638240D+00 -0.158663D+01
      5  -0.541520D+00  0.169519D+00 -0.102571D+02 -0.960465D+00 -0.113857D+01
      6   0.283485D+01 -0.910218D+00 -0.174567D+01  0.395211D+00 -0.130415D+01
               256           257           258           259           260 
      1   0.123775D+02  0.372563D+01 -0.140057D+01 -0.358416D+02 -0.111375D+01
      2  -0.781019D+01 -0.142405D+01  0.336140D+01  0.258893D+02  0.395713D+01
      3  -0.456727D+01 -0.230158D+01 -0.196083D+01  0.995233D+01 -0.284338D+01
      4   0.230920D+02  0.250667D+02 -0.219041D+02 -0.172188D+02 -0.211266D+02
      5  -0.170474D+02 -0.214127D+02  0.364870D+02  0.461986D+02  0.333544D+02
      6  -0.615266D+01 -0.881028D+01  0.125147D+02  0.105425D+02  0.117874D+02
               261           262           263           264           265 
      1   0.558242D+01  0.203056D+02  0.828681D+01  0.136126D+02  0.318604D+02
      2  -0.182534D+02 -0.884738D+01 -0.292971D+01 -0.662945D+01 -0.123840D+02
      3   0.126710D+02 -0.114582D+02 -0.535710D+01 -0.698313D+01 -0.194765D+02
      4   0.322424D+02  0.102596D+02  0.777197D+01  0.804040D+01  0.399887D+02
      5  -0.725337D+02  0.169127D+02  0.770743D+01  0.373656D+01  0.227170D+02
      6  -0.158999D+02  0.338367D+01  0.946240D+00 -0.251228D+00  0.605325D+01
               266           267           268           269           270 
      1   0.169913D+02  0.114305D+02  0.493866D+02  0.142732D+02  0.129933D+02
      2  -0.103475D+01 -0.153724D+01 -0.240981D+02 -0.400878D+01 -0.877896D+01
      3  -0.159566D+02 -0.989328D+01 -0.252884D+02 -0.102644D+02 -0.421430D+01
      4   0.430518D+02  0.254198D+02  0.292487D+02  0.300535D+02  0.307109D+02
      5   0.268399D+02  0.328458D+02  0.375748D+02  0.327089D+02  0.426921D+02
      6   0.704911D+01  0.838738D+01  0.956533D+01  0.903122D+01  0.842889D+01
               271           272           273           274           275 
      1   0.188406D+03 -0.346631D+02 -0.123182D+02 -0.769833D+02  0.271260D+02
      2  -0.986336D+02  0.183493D+02  0.761761D+01  0.398942D+02 -0.128068D+02
      3  -0.897722D+02  0.163138D+02  0.470064D+01  0.370891D+02 -0.143192D+02
      4  -0.393275D+02  0.202139D+02  0.396138D+01  0.349936D+02 -0.229944D+02
      5  -0.168902D+02  0.420411D+01  0.173161D+02  0.844044D+01 -0.183524D+01
      6   0.352569D+01 -0.156163D+01 -0.707235D+00 -0.283377D+01  0.201872D+01
               276           277           278           279 
      1   0.629222D+01 -0.755543D+01  0.298089D+01  0.162069D+02
      2  -0.353919D+01  0.567421D+01 -0.130309D+01 -0.983238D+01
      3  -0.275303D+01  0.188122D+01 -0.167780D+01 -0.637456D+01
      4  -0.183672D+01  0.346711D+01  0.343633D+00 -0.564069D+00
      5  -0.628917D+01  0.247341D+02 -0.429935D+00 -0.595073D+01
      6   0.210060D+01 -0.123476D+01  0.269001D+01  0.280809D-01
 Leave Link  716 at Thu Aug 12 21:34:09 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.323267D+03  0.153636D+02 -0.164458D+02
      2   0.153636D+02  0.178039D+03 -0.562464D+01
      3  -0.164458D+02 -0.562464D+01  0.121624D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.116667D+02 -0.302739D+02  0.130006D+02
      2   0.856575D+02  0.177868D+02  0.142711D+02
      3   0.477848D+02  0.564414D+02 -0.217747D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.357394D+03 -0.483720D+02  0.942646D+02
      2   0.168712D+03  0.251206D+02 -0.490023D+02
      3   0.188683D+03  0.232514D+02 -0.452623D+02
      4  -0.622065D+02 -0.123371D+03  0.421198D+02
      5   0.265082D+02  0.460720D+02  0.363155D+02
      6   0.126765D+02 -0.727705D+02 -0.356609D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.443133D+02  0.955173D+01 -0.380930D+01 -0.447114D+02 -0.538972D+01
      2   0.955173D+01  0.501890D+01 -0.173919D+01 -0.538972D+01 -0.531585D+01
      3  -0.380930D+01 -0.173919D+01 -0.127364D-02  0.476321D+01  0.971120D+00
                 6             7             8             9            10 
      1   0.476321D+01  0.709727D+00 -0.520538D+00  0.126762D+01 -0.366186D+02
      2   0.971120D+00 -0.520538D+00 -0.209323D+00 -0.971365D+00 -0.902707D+01
      3  -0.200184D+00  0.126762D+01 -0.971365D+00  0.161958D+00  0.316249D+01
                11            12            13            14            15 
      1  -0.902707D+01  0.316249D+01  0.487962D+02  0.629943D+01 -0.541514D+01
      2  -0.116508D+01  0.704157D+00  0.629943D+01  0.704065D+01 -0.161373D+01
      3   0.704157D+00 -0.182573D+00 -0.541514D+01 -0.161373D+01  0.727122D-01
                16            17            18            19            20 
      1  -0.371866D+00  0.539052D+00 -0.496590D+00 -0.539132D+02 -0.110360D+02
      2   0.539052D+00 -0.330189D+00  0.110200D+01 -0.110360D+02 -0.990886D+01
      3  -0.496590D+00  0.110200D+01 -0.293108D+00  0.369465D+01  0.172287D+01
                21            22            23            24            25 
      1   0.369465D+01 -0.228738D+02 -0.269649D+01  0.150635D+00  0.934295D+01
      2   0.172287D+01 -0.269649D+01 -0.628383D+01  0.585683D+00  0.437469D+00
      3  -0.649726D+00  0.150635D+00  0.585683D+00 -0.232078D+01  0.681050D+00
                26            27            28            29            30 
      1   0.437469D+00  0.681050D+00  0.617425D+02  0.602234D+01 -0.595295D+00
      2   0.122627D+01 -0.390326D+01  0.602234D+01  0.511731D+01 -0.754971D+00
      3  -0.390326D+01  0.589724D+00 -0.595295D+00 -0.754971D+00  0.230557D+01
                31            32            33            34            35 
      1   0.716304D+01  0.336643D+01  0.834848D-01 -0.537787D+01 -0.516848D+00
      2   0.336643D+01  0.165385D+02 -0.292116D+01 -0.516848D+00 -0.303982D+01
      3   0.834848D-01 -0.292116D+01  0.382879D+00  0.645623D+01  0.122826D+01
                36            37            38            39            40 
      1   0.645623D+01  0.584222D+01 -0.124228D+01 -0.269206D+00  0.119845D+02
      2   0.122826D+01 -0.124228D+01  0.146806D+02 -0.159043D+01  0.899664D+00
      3  -0.149183D+01 -0.269206D+00 -0.159043D+01  0.258340D+01  0.401505D+00
                41            42            43            44            45 
      1   0.899664D+00  0.401505D+00 -0.121644D+01  0.127918D+01  0.477620D+01
      2  -0.895112D+01  0.165628D+01  0.127918D+01 -0.641530D+00  0.229506D+01
      3   0.165628D+01  0.750039D+00  0.477620D+01  0.229506D+01 -0.263288D+01
                46            47            48            49            50 
      1  -0.978787D+01  0.216802D+01  0.156167D+01  0.263718D+01  0.394294D+01
      2   0.216802D+01 -0.102629D+02  0.216605D+01  0.394294D+01  0.101071D+01
      3   0.156167D+01  0.216605D+01 -0.237086D+01 -0.448720D+00  0.235460D+00
                51            52            53            54            55 
      1  -0.448720D+00  0.627943D+00 -0.145659D+00 -0.111953D+01  0.171153D+01
      2   0.235460D+00 -0.145659D+00  0.220984D+01  0.445498D+01 -0.269929D+01
      3   0.185716D+01 -0.111953D+01  0.445498D+01 -0.106331D+01 -0.148920D+00
                56            57            58            59            60 
      1  -0.269929D+01 -0.148920D+00 -0.399516D+01 -0.460770D+01  0.381849D+00
      2   0.600088D+01 -0.366787D+00 -0.460770D+01 -0.262568D+01  0.837797D-01
      3  -0.366787D+00  0.243227D+01  0.381849D+00  0.837797D-01 -0.172856D+01
                61            62            63            64            65 
      1   0.109384D+00  0.352145D+00  0.148018D+00  0.993698D+00 -0.216452D+01
      2   0.352145D+00 -0.146535D+01 -0.432098D+01 -0.216452D+01  0.947068D+00
      3   0.148018D+00 -0.432098D+01  0.461225D+00 -0.178220D+00  0.246595D+00
                66            67            68            69            70 
      1  -0.178220D+00 -0.283954D+01  0.305836D+01  0.103987D+00 -0.558970D+00
      2   0.246595D+00  0.305836D+01 -0.654490D+01 -0.785418D-01  0.165888D+00
      3   0.471951D-01  0.103987D+00 -0.785418D-01 -0.580099D+00 -0.129324D+00
                71            72            73            74            75 
      1   0.165888D+00 -0.129324D+00  0.624892D+01  0.351608D+01 -0.113709D+01
      2   0.393990D+00 -0.904704D-01  0.351608D+01  0.340508D+01 -0.804743D+00
      3  -0.904704D-01 -0.104121D-03 -0.113709D+01 -0.804743D+00  0.618489D+00
                76            77            78            79            80 
      1   0.418359D+01  0.456519D+01 -0.102037D+01 -0.139409D+01 -0.951584D+00
      2   0.456519D+01  0.540970D+01 -0.113494D+01 -0.951584D+00 -0.905823D+00
      3  -0.102037D+01 -0.113494D+01  0.878030D+00 -0.199934D+00  0.557661D+00
                81            82            83            84            85 
      1  -0.199934D+00 -0.843020D+00  0.161575D+01 -0.102811D+00  0.629431D+00
      2   0.557661D+00  0.161575D+01 -0.241869D+01  0.123145D+00 -0.141585D+01
      3  -0.154315D+00 -0.102811D+00  0.123145D+00 -0.140739D+00  0.229460D+00
                86            87            88            89            90 
      1  -0.141585D+01  0.229460D+00 -0.127958D+00 -0.114078D+00  0.109185D+00
      2   0.111900D+02 -0.115484D+01 -0.114078D+00 -0.999728D+00  0.230093D+00
      3  -0.115484D+01  0.931036D+00  0.109185D+00  0.230093D+00 -0.134340D+00
                91            92            93            94            95 
      1  -0.303599D+02 -0.352013D+01 -0.215937D+01 -0.496266D+00 -0.234633D+01
      2  -0.352013D+01 -0.107991D+01 -0.390964D+00 -0.234633D+01  0.139067D+01
      3  -0.215937D+01 -0.390964D+00 -0.329092D+01  0.553062D+00  0.338479D+01
                96            97            98            99           100 
      1   0.553062D+00 -0.116815D+02 -0.105443D+01 -0.687366D+01 -0.722949D+01
      2   0.338479D+01 -0.105443D+01  0.216308D+01 -0.197625D+01  0.163083D+01
      3  -0.513783D+00 -0.687366D+01 -0.197625D+01 -0.879876D+00  0.190399D+01
               101           102           103           104           105 
      1   0.163083D+01  0.190399D+01 -0.249798D+01  0.239021D+01  0.721482D+00
      2   0.183578D+01  0.879543D+00  0.239021D+01 -0.166246D+01 -0.345474D+01
      3   0.879543D+00  0.373590D+01  0.721482D+00 -0.345474D+01  0.980260D+00
               106           107           108           109           110 
      1   0.253809D+01  0.953088D+00  0.240140D+01 -0.371251D+01 -0.132003D+01
      2   0.953088D+00 -0.257742D+01  0.266539D+01 -0.132003D+01 -0.436332D+00
      3   0.240140D+01  0.266539D+01  0.357774D+01 -0.636679D+00 -0.468483D+00
               111           112           113           114           115 
      1  -0.636679D+00 -0.228719D+01  0.876996D+00  0.102435D-01  0.192975D+02
      2  -0.468483D+00  0.876996D+00 -0.194766D+00 -0.227136D+00  0.935091D+00
      3   0.141632D+01  0.102435D-01 -0.227136D+00  0.538713D+00  0.718380D+01
               116           117           118           119           120 
      1   0.935091D+00  0.718380D+01  0.447583D+01  0.187720D+01 -0.170007D+01
      2   0.783900D+00  0.581987D+00  0.187720D+01  0.101112D+01 -0.554630D+00
      3   0.581987D+00  0.719930D+00 -0.170007D+01 -0.554630D+00  0.170195D+01
               121           122           123           124           125 
      1   0.669440D+01  0.183518D+01 -0.136231D+01 -0.223398D+01 -0.555507D+00
      2   0.183518D+01  0.251311D+01 -0.203491D+01 -0.555507D+00 -0.196643D+01
      3  -0.136231D+01 -0.203491D+01  0.185046D+01  0.277902D+01  0.169495D+01
               126           127           128           129           130 
      1   0.277902D+01 -0.783943D+00 -0.226883D+00 -0.120278D+01  0.722064D+00
      2   0.169495D+01 -0.226883D+00 -0.108043D+01 -0.105784D+01 -0.265100D+00
      3  -0.349780D+01 -0.120278D+01 -0.105784D+01 -0.274003D+01 -0.874601D-01
               131           132           133           134           135 
      1  -0.265100D+00 -0.874601D-01 -0.155810D+01  0.338378D+00 -0.303793D+00
      2  -0.111885D+01 -0.989176D+00  0.338378D+00 -0.190730D+01 -0.265017D+01
      3  -0.989176D+00 -0.131684D+01 -0.303793D+00 -0.265017D+01 -0.759304D+01
               136           137           138           139           140 
      1  -0.105382D+00 -0.359095D+00  0.423919D+00 -0.124390D+01  0.434269D+00
      2  -0.359095D+00 -0.985345D+00  0.247898D-01  0.434269D+00 -0.437770D+01
      3   0.423919D+00  0.247898D-01 -0.778032D+00  0.722209D-01  0.153571D+01
               141           142           143           144           145 
      1   0.722209D-01  0.127563D+01 -0.756656D+00 -0.289993D+00  0.130382D+02
      2   0.153571D+01 -0.756656D+00  0.295313D+01 -0.155830D+01 -0.337448D+01
      3  -0.163739D+01 -0.289993D+00 -0.155830D+01  0.168824D+01 -0.239276D+01
               146           147           148           149           150 
      1  -0.337448D+01 -0.239276D+01 -0.187150D+01  0.133614D+01  0.121247D+00
      2   0.188973D+01  0.809545D+00  0.133614D+01 -0.532360D+00 -0.856567D-02
      3   0.809545D+00  0.150363D+01  0.121247D+00 -0.856567D-02 -0.109275D+00
               151           152           153           154           155 
      1  -0.142206D+01  0.216882D+00  0.128744D+01  0.198781D+02  0.279112D+01
      2   0.216882D+00  0.624990D-01 -0.571990D+00  0.279112D+01  0.208439D+01
      3   0.128744D+01 -0.571990D+00 -0.993982D+00  0.176197D+01  0.743420D+00
               156           157           158           159           160 
      1   0.176197D+01  0.403174D+01  0.439955D+01  0.262178D+00  0.242738D+01
      2   0.743420D+00  0.439955D+01  0.203021D+01  0.548095D+00  0.607053D+00
      3   0.285013D+01  0.262178D+00  0.548095D+00  0.315333D+00  0.276777D+01
               161           162           163           164           165 
      1   0.607053D+00  0.276777D+01  0.177176D+02  0.583947D+00  0.576201D+01
      2  -0.288110D+00  0.641007D+00  0.583947D+00 -0.496336D+00 -0.297819D+00
      3   0.641007D+00  0.434211D+00  0.576201D+01 -0.297819D+00  0.120877D+01
               166           167           168           169           170 
      1   0.318792D+01 -0.329553D+00  0.557238D+00 -0.514306D+00 -0.691290D+00
      2  -0.329553D+00 -0.281840D+00  0.126837D+01 -0.691290D+00  0.439645D+00
      3   0.557238D+00  0.126837D+01 -0.482009D-01  0.908388D-01  0.121645D+00
               171           172           173           174           175 
      1   0.908388D-01 -0.129357D+02  0.140966D+00 -0.328341D+01 -0.156360D+01
      2   0.121645D+00  0.140966D+00 -0.139200D-01  0.238755D+00  0.425876D+00
      3   0.686720D+01 -0.328341D+01  0.238755D+00 -0.344660D+01 -0.511227D+00
               176           177           178           179           180 
      1   0.425876D+00 -0.511227D+00 -0.841222D+01  0.928656D-01 -0.308602D+01
      2  -0.178544D+00  0.767954D+00  0.928656D-01  0.128810D+01 -0.131420D+00
      3   0.767954D+00 -0.656445D+00 -0.308602D+01 -0.131420D+00  0.106216D+00
               181           182           183           184           185 
      1  -0.518889D+01  0.253980D+00 -0.188995D+00 -0.165857D+02 -0.245904D+01
      2   0.253980D+00 -0.112610D+02  0.884380D-01 -0.245904D+01  0.455946D+01
      3  -0.188995D+00  0.884380D-01 -0.253736D+01  0.140112D+01 -0.366264D+00
               186           187           188           189           190 
      1   0.140112D+01  0.118178D+01 -0.568573D+00 -0.436303D+01 -0.379872D+02
      2  -0.366264D+00 -0.568573D+00  0.257087D+00 -0.285565D+01 -0.617317D+01
      3  -0.163055D+01 -0.436303D+01 -0.285565D+01  0.206658D+01  0.290427D+01
               191           192           193           194           195 
      1  -0.617317D+01  0.290427D+01 -0.110505D+01 -0.328537D+01 -0.821630D+00
      2  -0.101140D+02  0.110866D+01 -0.328537D+01 -0.122270D+02  0.961515D+00
      3   0.110866D+01 -0.423595D+01 -0.821630D+00  0.961515D+00  0.607781D+00
               196           197           198           199           200 
      1   0.278287D+01  0.188350D+00 -0.775713D+01  0.399225D+02  0.111222D+02
      2   0.188350D+00  0.238645D+01 -0.792376D+00  0.111222D+02  0.779833D+01
      3  -0.775713D+01 -0.792376D+00  0.194327D+01 -0.426192D+01 -0.843288D+00
               201           202           203           204           205 
      1  -0.426192D+01  0.177143D+02  0.414226D+01 -0.191000D+01 -0.680064D+01
      2  -0.843288D+00  0.414226D+01  0.619018D+01 -0.130794D+00 -0.124659D+01
      3   0.647044D+00 -0.191000D+01 -0.130794D+00  0.273942D+01 -0.585642D-01
               206           207           208           209           210 
      1  -0.124659D+01 -0.585642D-01  0.720685D+01  0.438944D+01 -0.148511D+01
      2  -0.589380D+00  0.487416D+01  0.438944D+01  0.433270D+01 -0.851579D+00
      3   0.487416D+01 -0.120314D+01 -0.148511D+01 -0.851579D+00  0.456835D+00
               211           212           213           214           215 
      1  -0.350216D+01 -0.403234D+01  0.669040D+00 -0.474798D+00  0.805005D-02
      2  -0.403234D+01  0.918522D+00  0.273704D+00  0.805005D-02 -0.458673D+00
      3   0.669040D+00  0.273704D+00 -0.153227D+01  0.236869D+00  0.784382D+00
               216           217           218           219           220 
      1   0.236869D+00 -0.152180D+01 -0.490876D+01  0.113527D+01 -0.194748D+01
      2   0.784382D+00 -0.490876D+01 -0.122012D+01  0.133952D+01  0.343524D+01
      3  -0.598175D-01  0.113527D+01  0.133952D+01 -0.180864D-02  0.117357D+01
               221           222           223           224           225 
      1   0.343524D+01  0.117357D+01  0.118154D+01  0.117011D+01  0.282376D+01
      2   0.153629D+01  0.753973D+00  0.117011D+01  0.103760D+01  0.465842D+01
      3   0.753973D+00  0.635453D+01  0.282376D+01  0.465842D+01 -0.236285D+01
               226           227           228           229           230 
      1   0.326999D+00 -0.153231D+01  0.107242D+00 -0.282005D+00  0.778118D+00
      2  -0.153231D+01  0.215303D+01 -0.149536D-01  0.778118D+00 -0.100732D+02
      3   0.107242D+00 -0.149536D-01  0.940279D-01 -0.128869D+00  0.751471D+00
               231           232           233           234           235 
      1  -0.128869D+00  0.179184D-01  0.729237D-01 -0.705534D-01 -0.691716D+01
      2   0.751471D+00  0.729237D-01  0.806300D+00 -0.134567D+00 -0.324613D+01
      3  -0.807952D+00 -0.705534D-01 -0.134567D+00  0.935546D-01  0.110631D+01
               236           237           238           239           240 
      1  -0.324613D+01  0.110631D+01 -0.482478D+01 -0.445205D+01  0.958349D+00
      2  -0.267196D+01  0.579274D+00 -0.445205D+01 -0.480068D+01  0.913020D+00
      3   0.579274D+00 -0.387692D+00  0.958349D+00  0.913020D+00 -0.679378D+00
               241           242           243           244           245 
      1   0.147831D+01  0.896653D+00  0.273203D+00 -0.134543D+01  0.260257D+01
      2   0.896653D+00  0.817346D+00 -0.228148D+00  0.260257D+01 -0.223036D+01
      3   0.273203D+00 -0.228148D+00  0.370703D-02 -0.196196D+00 -0.565374D-01
               246           247           248           249           250 
      1  -0.196196D+00  0.324207D+01 -0.388764D+01  0.195059D+00 -0.268925D+00
      2  -0.565374D-01 -0.388764D+01  0.860261D+01 -0.469234D+00  0.966386D-01
      3  -0.282239D+00  0.195059D+00 -0.469234D+00  0.844657D+00 -0.160356D+00
               251           252           253           254           255 
      1   0.966386D-01 -0.160356D+00  0.986637D+00  0.199898D+00  0.683485D+00
      2  -0.656037D+00  0.105039D+00  0.199898D+00  0.463391D+00 -0.102994D+00
      3   0.105039D+00 -0.508533D-01  0.683485D+00 -0.102994D+00  0.563350D+00
               256           257           258           259           260 
      1  -0.162994D+01 -0.170942D+01  0.135138D+01  0.437189D+01  0.136788D+01
      2  -0.170942D+01 -0.206158D+01  0.200091D+01  0.136788D+01  0.181938D+01
      3   0.135138D+01  0.200091D+01 -0.314243D+01 -0.377500D+01 -0.302578D+01
               261           262           263           264           265 
      1  -0.377500D+01 -0.751622D+00 -0.547962D+00 -0.145113D+01 -0.350080D+01
      2  -0.302578D+01 -0.547962D+00 -0.175790D+00 -0.561664D+00 -0.298057D+01
      3   0.677914D+01 -0.145113D+01 -0.561664D+00 -0.466840D-01 -0.181545D+01
               266           267           268           269           270 
      1  -0.298057D+01 -0.181545D+01 -0.555753D+01 -0.230723D+01 -0.292219D+01
      2  -0.344880D+01 -0.221578D+01 -0.230723D+01 -0.255184D+01 -0.274237D+01
      3  -0.221578D+01 -0.263152D+01 -0.292219D+01 -0.274237D+01 -0.354720D+01
               271           272           273           274           275 
      1  -0.144032D+02  0.291201D+01  0.991980D+00  0.677190D+01 -0.232869D+01
      2   0.291201D+01 -0.121736D+01 -0.317896D+00 -0.232869D+01  0.174862D+01
      3   0.991980D+00 -0.317896D+00 -0.107239D+01 -0.639138D+00  0.107986D+00
               276           277           278           279 
      1  -0.639138D+00  0.628404D+00 -0.288710D+00 -0.167674D+01
      2   0.107986D+00 -0.288710D+00 -0.576581D-01 -0.419323D-01
      3   0.432662D+00 -0.167674D+01 -0.419323D-01  0.465756D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.198816D+01  0.465817D+01 -0.177729D+00  0.526178D+01  0.557091D+01
      2   0.182790D+02  0.672268D+01 -0.922201D+00 -0.144766D+02  0.673589D+00
      3   0.115522D+00  0.440826D+02 -0.394921D+01  0.335413D+02  0.259760D+02
                 6             7             8             9            10 
      1  -0.922589D+00  0.358211D+01  0.606198D+01 -0.811653D+00  0.260358D+01
      2   0.625143D+00 -0.200623D+02 -0.341802D+01  0.267960D+01 -0.214841D+02
      3  -0.477800D+01 -0.299492D+01 -0.889079D+01  0.792494D-01  0.252717D+01
                11            12            13            14            15 
      1   0.701774D+01 -0.103476D+01  0.819011D+01  0.131818D+01  0.352207D+00
      2   0.400897D-01 -0.403723D+01  0.207467D+02  0.354905D+01 -0.213641D+01
      3   0.488118D+02 -0.450055D+01  0.701101D+02  0.240960D+02 -0.940970D+01
                16            17            18            19            20 
      1   0.294709D+01  0.554511D+01 -0.116694D+01  0.279712D+01 -0.759752D+00
      2  -0.244540D+02 -0.229856D+01  0.322227D+01 -0.284249D+02 -0.920843D+01
      3  -0.618681D+01 -0.921938D+01  0.257016D+01  0.788820D+01 -0.351685D+02
                21            22            23            24            25 
      1  -0.432676D+00 -0.582585D+00  0.443968D+01 -0.307240D+01  0.652365D+01
      2   0.380123D+00 -0.160677D+02 -0.225518D+01 -0.170873D+01 -0.159505D+02
      3   0.169577D+01  0.294090D+01  0.405973D+01 -0.511661D+00  0.511758D+01
                26            27            28            29            30 
      1   0.134350D+01  0.278051D+01  0.423622D+01  0.814131D+00 -0.195302D+00
      2  -0.691460D+01  0.225403D+01  0.391093D+02  0.491627D+01  0.130078D+01
      3   0.528219D+01  0.255224D+01  0.157299D+02  0.114407D+02 -0.109021D+01
                31            32            33            34            35 
      1   0.649627D+01 -0.642854D+01  0.359254D+01 -0.177460D+01  0.168161D+02
      2   0.504073D+01  0.959935D+00  0.237649D+00 -0.181680D+02 -0.202494D+01
      3   0.336731D+02  0.115857D+01  0.381235D+01 -0.434867D+01 -0.149416D+01
                36            37            38            39            40 
      1  -0.290816D+01  0.247234D+01 -0.621970D+01 -0.554546D+01 -0.328034D+01
      2   0.107319D+01  0.100195D+01  0.706580D+00  0.306650D+01  0.708555D+01
      3  -0.132031D+00  0.322473D+02  0.364173D+00 -0.320979D+00 -0.320041D+01
                41            42            43            44            45 
      1   0.621247D+01 -0.147600D+01 -0.173742D+02  0.812793D+01  0.145802D+01
      2   0.243106D+01  0.108164D+01 -0.843680D+01  0.813362D+01  0.592343D+00
      3   0.667143D+01 -0.293123D+01 -0.121290D+01 -0.232312D+01  0.739893D+01
                46            47            48            49            50 
      1  -0.614028D+01  0.755233D+00  0.558720D+01 -0.302473D+01 -0.504313D+01
      2  -0.586837D+01 -0.851835D+00  0.801629D+00 -0.532439D+00 -0.899844D+00
      3  -0.554168D+02 -0.325500D+02  0.653297D+01 -0.112957D+02 -0.270454D+02
                51            52            53            54            55 
      1  -0.362538D+01  0.851380D+01 -0.524224D+01 -0.287131D+01 -0.147923D+01
      2   0.955013D+00 -0.177793D+02  0.218188D+01  0.433923D+00 -0.832511D+01
      3   0.386369D+01  0.894150D+01  0.631236D+01 -0.745097D+01 -0.304618D+02
                56            57            58            59            60 
      1  -0.608238D+01  0.593287D+01  0.948458D+00 -0.379222D+01 -0.303146D+01
      2  -0.386818D+01 -0.591035D+01 -0.497805D+01 -0.383984D+01  0.392303D+01
      3  -0.353600D+02  0.489845D+01 -0.323932D+01 -0.310697D+02  0.188275D+01
                61            62            63            64            65 
      1   0.514060D+01 -0.258483D+01 -0.815625D+00  0.378131D+00  0.718474D+00
      2  -0.231540D+02  0.631662D+01  0.114036D+01 -0.714633D+00 -0.343225D+00
      3   0.443972D+01  0.614742D+01 -0.119072D+02 -0.112742D+01  0.164019D+01
                66            67            68            69            70 
      1   0.502271D+00 -0.440501D+00  0.168729D+01 -0.332902D+01  0.217329D+00
      2  -0.156821D+00 -0.832868D+00  0.858393D+00 -0.116499D+01 -0.247650D+01
      3   0.117480D+00  0.533880D+01  0.426545D+01 -0.596363D+00 -0.521035D-01
                71            72            73            74            75 
      1   0.210158D+01 -0.192905D+00 -0.201856D+00 -0.124231D+01 -0.219499D+01
      2   0.121534D+01 -0.517041D-01  0.365564D+01  0.132458D+01  0.164882D+01
      3  -0.438752D+00 -0.855013D+00  0.950946D+01  0.154052D+00 -0.904515D+00
                76            77            78            79            80 
      1  -0.150597D+01 -0.209206D+01 -0.260274D+01  0.324091D+01  0.134495D+01
      2   0.189371D+01  0.150540D+01  0.222098D+01 -0.330661D+01 -0.283010D-01
      3   0.171729D+01 -0.143290D+01 -0.170574D+00 -0.181786D+01  0.217421D+00
                81            82            83            84            85 
      1  -0.257523D+00 -0.120830D+01  0.153011D+01  0.116279D+01  0.366605D+00
      2  -0.618799D+00 -0.763676D+00  0.879505D+00  0.653481D+00  0.692552D+00
      3  -0.127911D+01 -0.521277D+01  0.278811D+01  0.495161D-01  0.517049D+01
                86            87            88            89            90 
      1  -0.425247D+01 -0.443080D+01 -0.114790D+01  0.273478D+01  0.368098D+00
      2  -0.134917D+01 -0.821302D+00 -0.498336D+00 -0.105033D+01  0.212139D+00
      3  -0.410908D+01  0.750706D+00  0.612088D+00  0.495432D+00  0.104407D+01
                91            92            93            94            95 
      1  -0.131485D+01  0.109303D+01 -0.180054D+00 -0.252980D+01 -0.338186D+00
      2  -0.282768D+02 -0.288084D+01 -0.110707D+02  0.173569D+01  0.861436D+01
      3  -0.140506D+01 -0.292937D+01 -0.862045D+00  0.187456D+02 -0.690050D+01
                96            97            98            99           100 
      1  -0.342136D+01 -0.265270D+01  0.307882D+01  0.362763D+01  0.606411D+00
      2  -0.937196D+00 -0.471217D+02 -0.688011D+01 -0.727855D+01 -0.248024D+01
      3  -0.133307D+02 -0.283992D+01 -0.138424D+02  0.647155D+01  0.116262D+02
               101           102           103           104           105 
      1  -0.352199D+01  0.414193D+01 -0.102723D+01 -0.402851D+01  0.609215D+01
      2   0.496048D+01  0.178242D+02  0.134624D+01 -0.916553D+01  0.447987D+01
      3  -0.178160D+02 -0.709148D+01 -0.120476D+02  0.819137D+00  0.149645D+02
               106           107           108           109           110 
      1   0.604770D-01  0.107125D+02  0.182119D+01 -0.675031D+01 -0.217028D+01
      2   0.907510D+01  0.102635D+02  0.153787D+02  0.243251D+02  0.280502D+01
      3  -0.553182D+01  0.102912D+02 -0.160170D+02  0.172996D+01  0.163231D+02
               111           112           113           114           115 
      1   0.405118D+01 -0.140835D+02 -0.369037D+01 -0.178466D+02  0.418469D+01
      2   0.317227D+01 -0.188085D+01  0.236937D+00 -0.287480D+01  0.303254D+02
      3   0.265831D+00  0.130999D+02  0.904686D+01  0.336121D+01  0.155339D+01
               116           117           118           119           120 
      1  -0.450375D+01  0.187577D+01 -0.680842D+00 -0.136636D+01  0.480938D+00
      2  -0.131483D+00  0.160241D+01 -0.368759D+01 -0.879430D+00  0.630246D+01
      3   0.523859D+01 -0.128836D+01 -0.787319D+01 -0.635067D+01  0.225667D+01
               121           122           123           124           125 
      1   0.565363D-01 -0.230218D+01  0.482880D+00  0.323901D+00  0.286002D+01
      2   0.474001D+00 -0.531867D+01  0.579924D+01  0.691598D+01  0.493258D+01
      3  -0.191508D+01 -0.888859D+01  0.725387D+01  0.236608D+01  0.887829D+01
               126           127           128           129           130 
      1  -0.102565D+01 -0.113569D+01  0.152395D+01 -0.284848D+01  0.264232D+00
      2  -0.922743D+01 -0.767092D+01 -0.330059D+01 -0.101022D+02  0.200866D+00
      3  -0.652206D+01  0.378056D+01  0.520960D+01  0.664436D+01  0.324366D+01
               131           132           133           134           135 
      1   0.956222D-01 -0.226513D+01 -0.179394D+01  0.134247D+01 -0.779227D+01
      2  -0.379262D+01 -0.488131D+01 -0.607058D+01 -0.862703D+01 -0.262655D+02
      3   0.442117D+01  0.448006D+01  0.296891D+01  0.661156D+01  0.132972D+02
               136           137           138           139           140 
      1   0.187490D+01  0.147554D+01 -0.223239D+01  0.413688D+00  0.805880D+01
      2   0.211858D+01 -0.597701D+00 -0.210166D+01 -0.559639D+00  0.560817D+01
      3   0.530372D+01  0.510626D+01 -0.177659D+01  0.336926D+01  0.179522D+02
               141           142           143           144           145 
      1  -0.732115D+01 -0.430174D+00 -0.518959D+01  0.682336D+01  0.331147D+00
      2  -0.535954D+01 -0.179266D+01 -0.553974D+01  0.547085D+01  0.727098D+01
      3  -0.725461D+01 -0.188488D+01 -0.118576D+02  0.847122D+01 -0.644461D+01
               146           147           148           149           150 
      1  -0.175604D+01  0.185828D+01 -0.119675D+01  0.776567D+00 -0.130638D+01
      2  -0.394209D+00  0.572037D+01 -0.142708D+01  0.187525D+01 -0.359527D+00
      3  -0.618057D+01 -0.213060D+00 -0.127154D+01  0.100942D+01 -0.143895D+01
               151           152           153           154           155 
      1   0.126142D+01 -0.508876D+00 -0.446244D+00  0.522332D+01  0.202845D+01
      2   0.259888D+01 -0.155480D+01 -0.251761D+01 -0.999070D+01  0.969627D-01
      3   0.130994D+01 -0.125549D+01  0.589007D+00 -0.749995D+01 -0.262097D+02
               156           157           158           159           160 
      1  -0.394248D+01  0.102504D+02  0.267115D+01  0.141950D+01 -0.195370D+01
      2   0.230446D+02  0.338214D+01 -0.103054D+01  0.410186D+01  0.755567D+01
      3  -0.141023D+01 -0.171440D+02 -0.115795D+02 -0.215126D+01 -0.675075D+00
               161           162           163           164           165 
      1   0.304454D+01 -0.283874D+00  0.680851D+01  0.200146D+01  0.132856D+01
      2   0.313972D+01  0.258073D+01 -0.100959D+02 -0.298801D+01  0.142287D+01
      3  -0.268863D+01 -0.182226D+01 -0.323952D+01 -0.295060D+01  0.599480D+00
               166           167           168           169           170 
      1   0.530402D+01 -0.436271D+00  0.526228D+01  0.209103D+01  0.797615D+01
      2  -0.254425D+01  0.623723D+01  0.394407D+00 -0.122692D+02  0.474739D+00
      3   0.179309D+01  0.604998D+00 -0.597145D+01  0.146664D+01 -0.286364D+01
               171           172           173           174           175 
      1  -0.141892D+01 -0.656731D+01 -0.155814D+01 -0.233379D+01 -0.612936D+01
      2   0.231816D+02  0.227011D+02  0.162822D+01 -0.640123D+01  0.351329D+01
      3   0.674797D+00  0.263633D+01  0.160313D+01 -0.448915D-01  0.481882D+01
               176           177           178           179           180 
      1   0.290992D+00 -0.291079D+01 -0.212770D+01 -0.120158D+01 -0.685000D+00
      2   0.231007D+01 -0.968354D+00 -0.137071D+01  0.621048D+00  0.164229D+01
      3  -0.417141D-02 -0.108127D+01  0.380510D+00  0.106515D+01  0.130160D+00
               181           182           183           184           185 
      1  -0.401895D+00  0.448773D+01 -0.654787D+01 -0.324548D+01  0.294333D+00
      2   0.980561D+00  0.195043D+01  0.835502D+01 -0.679128D+01  0.285187D+01
      3   0.174626D+02  0.622949D+01 -0.258869D+01 -0.187986D+02  0.884046D+01
               186           187           188           189           190 
      1  -0.123605D+01 -0.125278D+02  0.616761D+01  0.262568D+01  0.303044D+01
      2   0.495189D+01 -0.368019D+01  0.118948D+02 -0.413541D+01 -0.114897D+02
      3   0.420773D+00  0.219851D+01 -0.379371D+01  0.285435D+00  0.116099D+02
               191           192           193           194           195 
      1   0.805054D+01  0.813511D+00  0.766921D+01  0.708642D+01  0.254427D+01
      2  -0.623152D+00  0.277950D+01  0.321676D+01 -0.251642D+01 -0.141823D+01
      3   0.227818D+02 -0.407782D+01  0.514007D+02  0.104600D+02 -0.665272D+01
               196           197           198           199           200 
      1  -0.148686D+01  0.135704D+02 -0.195253D+01 -0.574263D+00 -0.705021D+01
      2   0.393324D+01 -0.447463D+01 -0.238073D+01  0.165920D+02 -0.875457D+00
      3  -0.774323D+01 -0.527022D+01  0.460132D-01  0.101266D+02 -0.407511D+02
               201           202           203           204           205 
      1   0.406311D+00 -0.110707D+01 -0.391751D+01 -0.305105D+01  0.774863D+01
      2   0.220711D+01  0.335044D+01 -0.203513D+01 -0.567872D+01 -0.202902D+02
      3   0.401145D+01 -0.322492D+01 -0.139583D+02  0.380230D+01  0.116982D+01
               206           207           208           209           210 
      1   0.304608D+01 -0.133917D+01 -0.277066D+01 -0.741905D+01 -0.113561D+01
      2  -0.176267D+02  0.457191D+01  0.124569D+01 -0.171878D+01  0.135991D+02
      3   0.901796D+01  0.769389D+01 -0.783113D+01 -0.446137D+02  0.435893D+01
               211           212           213           214           215 
      1  -0.709862D-01  0.281119D+00 -0.509328D+01 -0.201086D+01 -0.147932D+01
      2  -0.133790D+01  0.488296D+00  0.759811D+01 -0.730967D+01 -0.140629D+01
      3  -0.386538D+01  0.110240D+02 -0.885339D+00  0.305894D+01  0.494382D+01
               216           217           218           219           220 
      1   0.131605D+01 -0.818290D+00  0.295967D+01  0.981613D+00  0.501168D+01
      2  -0.104391D+01 -0.697824D+01 -0.440622D+01 -0.141778D+01 -0.418145D+01
      3   0.254788D+01 -0.329698D+02  0.132844D+02  0.660910D+01  0.335656D+02
               221           222           223           224           225 
      1   0.400809D+01  0.476629D+01  0.133831D+02  0.692186D+01 -0.368265D+00
      2  -0.402211D+01 -0.410111D+02 -0.216873D+02 -0.311231D+02  0.148529D+02
      3   0.258204D+02  0.118404D+01  0.526065D+01  0.172355D+01  0.313427D+02
               226           227           228           229           230 
      1  -0.292605D+00  0.476917D+00  0.112060D+01 -0.164312D+00  0.385273D+00
      2  -0.623632D+00  0.112250D+00  0.461678D+00  0.576247D+00 -0.207097D+01
      3  -0.722396D+01  0.558821D+01  0.207380D+00  0.521943D+01 -0.203961D+02
               231           232           233           234           235 
      1  -0.441530D+01 -0.185889D+00  0.278801D+01  0.208377D+00  0.170208D+01
      2   0.485429D+00  0.537161D-01 -0.338940D+00 -0.324765D-01 -0.189383D+01
      3   0.179223D+01  0.387516D+00  0.120410D+01  0.535316D+00  0.531206D+01
               236           237           238           239           240 
      1   0.166730D+00 -0.185779D+01  0.631726D+00 -0.125774D+00 -0.271240D+01
      2  -0.137853D+01  0.188044D+01 -0.217399D+01 -0.234247D+01  0.337378D+01
      3  -0.471212D+01 -0.232344D+00 -0.550363D+01 -0.115878D+02  0.161550D+01
               241           242           243           244           245 
      1   0.235536D+01  0.105618D+01 -0.804104D-02 -0.215617D+00  0.588562D+00
      2  -0.280546D+01  0.308584D+00 -0.152020D+00 -0.496354D-01  0.657883D+00
      3  -0.253903D+00  0.152428D+01 -0.130096D+01  0.409357D+01 -0.381790D+01
               246           247           248           249           250 
      1   0.118557D+01  0.374825D+00 -0.472578D+00 -0.391514D+01 -0.301084D+00
      2   0.134011D+01  0.235088D+00  0.605609D+00 -0.307485D+01 -0.222099D+01
      3  -0.308077D+00 -0.290902D+01  0.204959D+02 -0.131891D+01 -0.227974D-01
               251           252           253           254           255 
      1   0.172983D+01  0.762398D-01 -0.103857D+01  0.268961D+00  0.109348D+01
      2   0.359902D+00  0.199211D+00 -0.594814D+01  0.973153D+00 -0.291311D+01
      3  -0.201391D+01 -0.234325D+00 -0.963238D+00  0.107319D+01 -0.120178D+01
               256           257           258           259           260 
      1  -0.927537D-01 -0.116966D+01 -0.201385D+01 -0.232274D+01  0.228279D+01
      2  -0.577050D+01 -0.111920D+02  0.184249D+02  0.161326D+02  0.183818D+02
      3  -0.976472D+01 -0.175607D+02  0.128829D+02  0.709856D+01  0.145736D+02
               261           262           263           264           265 
      1   0.375290D+01 -0.250813D+00 -0.363815D+00 -0.164734D+00 -0.313984D+01
      2  -0.382631D+02  0.934034D+01  0.319057D+01  0.133843D+01  0.904356D+01
      3  -0.199089D+02 -0.510136D+01 -0.323898D+01 -0.256554D+01 -0.161843D+02
               266           267           268           269           270 
      1  -0.305503D+01 -0.443413D+01 -0.444819D+01 -0.116380D+01 -0.536265D+01
      2   0.127344D+02  0.167298D+02  0.145995D+02  0.171196D+02  0.213549D+02
      3  -0.262270D+02 -0.126848D+02 -0.108278D+02 -0.177402D+02 -0.167824D+02
               271           272           273           274           275 
      1   0.176535D+01 -0.110536D+01  0.177011D+00 -0.139436D+01  0.779983D+00
      2  -0.781192D-01  0.537533D+00  0.854655D+01  0.102109D+01  0.290792D+00
      3   0.233914D+02 -0.128488D+02 -0.229192D+01 -0.157434D+02  0.117238D+02
               276           277           278           279 
      1  -0.891762D+00 -0.135544D+01  0.238055D+00  0.155450D+00
      2  -0.298770D+01  0.807457D+01  0.407928D+00 -0.225796D+01
      3   0.882545D+00 -0.193770D+01  0.165168D+00 -0.229205D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.882118D+02 -0.403978D+02  0.107784D+02  0.890060D+02 -0.314019D+01
      2   0.467578D+02  0.218842D+02 -0.721647D+01 -0.450016D+02  0.671736D+01
      3   0.414540D+02  0.185136D+02 -0.356190D+01 -0.440044D+02 -0.357718D+01
      4  -0.406926D+02 -0.140454D+01  0.270454D+01 -0.347731D+01  0.607724D+01
      5   0.165303D+02  0.223227D+01 -0.201161D+01  0.837721D+00  0.174753D+01
      6   0.201478D+01 -0.309044D+01  0.304528D+00  0.310860D+01  0.226723D+01
                 6             7             8             9            10 
      1  -0.969177D+01  0.297623D+01  0.381309D+01 -0.994075D+01  0.858932D+02
      2   0.395538D+01 -0.307643D+01 -0.313977D+01 -0.773159D+00 -0.369896D+02
      3   0.573639D+01  0.100205D+00 -0.673326D+00  0.107139D+02 -0.489036D+02
      4  -0.729351D-01  0.460033D+01  0.545900D+00 -0.615246D+00  0.198571D+02
      5  -0.100771D+01 -0.110727D+01  0.119828D+01  0.310353D+01 -0.154618D+02
      6  -0.115015D+01 -0.309598D+01  0.371071D+01  0.217381D+01 -0.249588D+00
                11            12            13            14            15 
      1   0.282875D+01 -0.106639D+02 -0.991723D+02 -0.244099D+02  0.106453D+02
      2  -0.240975D+01  0.354171D+01  0.445213D+02  0.214958D+02 -0.751473D+01
      3  -0.419003D+00  0.712222D+01  0.546509D+02  0.291410D+01 -0.313053D+01
      4  -0.369067D+01 -0.259196D+01 -0.186202D+02 -0.154854D+02  0.227259D+01
      5  -0.128757D+01 -0.828572D+01  0.605677D+00 -0.672564D+00  0.119661D+01
      6   0.819932D+00 -0.178445D+00 -0.562686D+00 -0.508723D+01 -0.150789D+01
                16            17            18            19            20 
      1  -0.818400D+00  0.924146D+00 -0.947279D+01  0.576487D+02  0.503484D+02
      2  -0.168531D+01 -0.542456D+00 -0.489451D+00 -0.304553D+02 -0.332658D+02
      3   0.250371D+01 -0.381690D+00  0.996224D+01 -0.271934D+02 -0.170825D+02
      4  -0.462517D+00  0.287894D+01 -0.248502D+01  0.408499D+02 -0.307810D+01
      5   0.128344D-01 -0.227695D+01  0.424544D+01 -0.154407D+02 -0.480508D+01
      6  -0.231845D+01  0.482271D+01  0.569144D+00 -0.206557D+01  0.951112D+01
                21            22            23            24            25 
      1  -0.166332D+02 -0.111790D+02  0.249152D+02 -0.962147D+01 -0.887043D+01
      2   0.910953D+01  0.183496D+02 -0.285716D+02  0.542577D+01 -0.808662D+00
      3   0.752367D+01 -0.717066D+01  0.365635D+01  0.419570D+01  0.967909D+01
      4  -0.401585D+01  0.199332D+02  0.119349D+01 -0.179368D+01 -0.129400D+02
      5  -0.253706D+01 -0.767507D+01 -0.195597D+01 -0.655928D+01  0.100277D+02
      6  -0.142415D+01 -0.363832D+01  0.854943D+01  0.542617D+01  0.607918D+00
                26            27            28            29            30 
      1  -0.178776D+02 -0.525931D+01  0.177117D+02 -0.267533D+01  0.131471D+02
      2   0.101341D+02 -0.535663D+01 -0.271900D+02  0.470726D+01 -0.581590D+01
      3   0.774352D+01  0.106159D+02  0.947828D+01 -0.203193D+01 -0.733121D+01
      4  -0.180793D+01 -0.344356D+01 -0.136648D+02  0.960183D+01 -0.147532D+01
      5  -0.827981D+01  0.447334D+01  0.164010D+02 -0.165988D+01  0.834847D+01
      6   0.847016D+01  0.371647D+01  0.439430D+01 -0.502359D+01  0.167705D+01
                31            32            33            34            35 
      1  -0.343683D+02 -0.667242D+02  0.963500D+01  0.183810D+02  0.110416D+02
      2   0.270123D+02  0.564741D+02 -0.108752D+02 -0.195352D+01 -0.796027D+01
      3   0.735608D+01  0.102501D+02  0.124019D+01 -0.164275D+02 -0.308136D+01
      4  -0.387100D+02  0.665540D+00 -0.143109D+01  0.927072D+01 -0.292040D+01
      5   0.115087D+02  0.180973D+01  0.312814D+00  0.245873D+02  0.421468D+01
      6   0.636022D+00 -0.156198D+02 -0.926005D+00 -0.703446D+00  0.576103D+01
                36            37            38            39            40 
      1  -0.779770D+01 -0.109872D+02 -0.710171D+02  0.115387D+02  0.279464D+02
      2  -0.660190D+01  0.542547D+01  0.544293D+02 -0.321501D+01 -0.296526D+02
      3   0.143996D+02  0.556175D+01  0.165878D+02 -0.832370D+01  0.170620D+01
      4  -0.138687D+01 -0.601884D+01 -0.111058D+02  0.530110D+01  0.108710D+02
      5  -0.209594D+01 -0.346569D+01  0.979644D+01  0.542337D+01  0.248797D+01
      6   0.692090D+00  0.460369D+01 -0.100089D+02  0.131303D+02  0.572132D+01
                41            42            43            44            45 
      1   0.407264D+02 -0.453502D+01  0.544574D+01  0.896089D+01 -0.175410D+02
      2  -0.358721D+02  0.611870D+01  0.785062D+01 -0.916223D+00  0.366339D+00
      3  -0.485428D+01 -0.158368D+01 -0.132964D+02 -0.804467D+01  0.171746D+02
      4  -0.138820D+02  0.369114D+01  0.105085D+02  0.551375D+01  0.824666D+01
      5   0.619652D+00  0.547546D+01  0.167671D+02  0.503097D+01 -0.662947D+01
      6   0.120808D+02 -0.129184D+01  0.185705D+02  0.108773D+02 -0.843678D+01
                46            47            48            49            50 
      1   0.166703D+02  0.488045D+02 -0.132189D+02 -0.221540D+02 -0.427160D+01
      2  -0.122913D+02 -0.350519D+02  0.405658D+01  0.178281D+02 -0.826895D+01
      3  -0.437900D+01 -0.137526D+02  0.916229D+01  0.432593D+01  0.125405D+02
      4  -0.525515D+01 -0.562792D+01  0.576858D+00  0.273569D+01  0.142334D+02
      5   0.128097D+02 -0.141708D+01 -0.190068D+01  0.322477D+01 -0.103421D+01
      6   0.647595D-01  0.133683D+02 -0.122083D+02 -0.319969D+01  0.421455D+01
                51            52            53            54            55 
      1   0.828385D+00 -0.272973D+01 -0.588416D+01 -0.243943D+02  0.189214D+02
      2   0.373828D+01  0.344942D+00  0.145113D+02  0.119526D+02 -0.159034D+02
      3  -0.456667D+01  0.238479D+01 -0.862714D+01  0.124417D+02 -0.301802D+01
      4  -0.181999D+01 -0.441798D-02  0.183129D+01 -0.405226D+01  0.279504D+02
      5  -0.577951D+00  0.304181D+01  0.431132D-01  0.430155D+01 -0.132929D+02
      6   0.917897D+01 -0.359653D+01  0.235827D+02 -0.556718D+01 -0.301854D+01
                56            57            58            59            60 
      1   0.505746D+02 -0.105254D+02  0.252640D+01  0.212204D+02 -0.399654D+01
      2  -0.307411D+02  0.417056D+01  0.316159D+01 -0.224615D+02  0.390492D+01
      3  -0.198335D+02  0.635481D+01 -0.568798D+01  0.124115D+01  0.916142D-01
      4  -0.372931D+02 -0.167763D+00  0.313685D+02  0.190475D+02 -0.154755D+01
      5  -0.900198D+00 -0.118422D+02 -0.488762D+01 -0.190884D+00  0.554899D+01
      6   0.364490D+01 -0.985444D+01 -0.152731D+01  0.513686D+01  0.852203D+01
                61            62            63            64            65 
      1  -0.419962D+01 -0.916379D+01 -0.207530D+02  0.210665D+01 -0.422313D+00
      2   0.283667D+01  0.988042D+01  0.810393D+01  0.124348D+01 -0.103666D+01
      3   0.136295D+01 -0.716630D+00  0.126491D+02 -0.335013D+01  0.145897D+01
      4  -0.437223D+01  0.834697D+01  0.133868D+02 -0.730258D+01  0.931954D+01
      5   0.235569D+01  0.154251D+02  0.166987D+01 -0.299965D+01  0.149597D+01
      6   0.156479D+01  0.216839D+02  0.253398D+00  0.187660D+01 -0.163138D+01
                66            67            68            69            70 
      1  -0.835961D+00  0.441970D+01 -0.221761D+02 -0.265715D-01 -0.309313D+01
      2   0.418114D+00 -0.808828D+01  0.280456D+02  0.395788D-02  0.235840D+01
      3   0.417847D+00  0.366858D+01 -0.586956D+01  0.226136D-01  0.734732D+00
      4   0.585964D+00  0.124641D+02 -0.181884D+02 -0.267851D+00  0.557536D+00
      5   0.845487D+00  0.136246D+01 -0.375831D+00 -0.198617D+01  0.170285D+00
      6  -0.445445D+00 -0.235985D+01  0.414223D+01  0.453727D+01 -0.196876D+01
                71            72            73            74            75 
      1   0.263016D+01 -0.294629D+01  0.472948D+01 -0.351087D+01  0.126501D+01
      2  -0.226777D+01  0.308743D+01  0.511112D+01  0.109805D+02 -0.137629D+01
      3  -0.362384D+00 -0.141136D+00 -0.984061D+01 -0.746958D+01  0.111288D+00
      4   0.809949D+00 -0.697166D+00  0.286639D+02  0.241565D+02 -0.559777D+01
      5   0.238548D+00 -0.115556D+00 -0.909875D+01 -0.576388D+01  0.538303D+01
      6   0.209192D+01 -0.578971D+00 -0.785531D+01 -0.712933D+01  0.441798D+01
                76            77            78            79            80 
      1  -0.811935D+01 -0.154345D+02  0.421386D+01 -0.628006D+00  0.225477D+01
      2   0.170636D+02  0.260052D+02 -0.410552D+01 -0.274825D+01 -0.317117D+01
      3  -0.894422D+01 -0.105708D+02 -0.108332D+00  0.337626D+01  0.916400D+00
      4   0.276157D+02  0.316202D+02 -0.621588D+01 -0.667913D+01 -0.564768D+01
      5  -0.611450D+01 -0.651290D+01  0.464596D+01  0.146412D+01  0.351677D+01
      6  -0.909409D+01 -0.110407D+02  0.714483D+01  0.464603D+00  0.445412D+01
                81            82            83            84            85 
      1  -0.642131D+00 -0.583804D+01  0.970597D+01 -0.220377D+00  0.642690D+01
      2   0.162648D+01  0.835995D+01 -0.140174D+02  0.455073D+00 -0.777704D+01
      3  -0.984348D+00 -0.252192D+01  0.431147D+01 -0.234696D+00  0.135014D+01
      4   0.359568D+01 -0.516041D+01  0.138177D+02 -0.122609D+01  0.746591D+01
      5  -0.171112D+01  0.162880D+01 -0.263923D+01  0.212840D+01 -0.149194D+01
      6  -0.215709D+01 -0.174072D+01  0.200528D+01 -0.177106D+01  0.208360D+01
                86            87            88            89            90 
      1  -0.562065D+02  0.643218D+01 -0.228347D+00  0.453048D+01 -0.196747D+01
      2   0.747316D+02 -0.632407D+01  0.694129D+00 -0.565728D+01  0.234211D+01
      3  -0.185251D+02 -0.108108D+00 -0.465782D+00  0.112680D+01 -0.374641D+00
      4  -0.156236D+02  0.176914D+01 -0.105238D+01 -0.497747D+00 -0.137641D+01
      5   0.497182D+01 -0.160451D+01  0.100020D+01 -0.178637D+01  0.595801D-01
      6  -0.146483D+02  0.901071D+01  0.514426D+00  0.420034D+01 -0.139674D+01
                91            92            93            94            95 
      1  -0.444593D+02 -0.205499D+02 -0.129511D+02 -0.811391D+01 -0.480297D+00
      2   0.374453D+02  0.173534D+02  0.663419D+01  0.102948D+02 -0.337419D-01
      3   0.701404D+01  0.319649D+01  0.631687D+01 -0.218087D+01  0.514039D+00
      4  -0.113531D+02 -0.121593D+02  0.233764D+01 -0.243238D+02  0.128544D+02
      5  -0.178927D+02  0.182015D+01 -0.255059D+02  0.827698D+01  0.277601D+02
      6   0.239570D+00  0.542102D+01  0.514635D+00  0.806624D+01 -0.459701D+01
                96            97            98            99           100 
      1   0.106214D+02 -0.380031D+02 -0.149953D+01 -0.219043D+02 -0.613990D+02
      2  -0.111781D+02  0.282076D+02 -0.469372D+01  0.141288D+02  0.332390D+02
      3   0.556677D+00  0.979555D+01  0.619325D+01  0.777548D+01  0.281600D+02
      4   0.278676D+02  0.200056D+01  0.231755D+02 -0.105455D+02  0.301195D+02
      5  -0.220861D+01 -0.491785D+02 -0.130648D+02 -0.368941D+00  0.308247D+02
      6  -0.103138D+02 -0.686881D+01 -0.268235D+01  0.724366D+01 -0.647110D+01
               101           102           103           104           105 
      1   0.288065D+02  0.290808D+02  0.560926D+01  0.523190D+01 -0.533091D+01
      2  -0.204524D+02 -0.638965D+01 -0.821191D+01 -0.464176D+01  0.202674D+02
      3  -0.835418D+01 -0.226911D+02  0.260265D+01 -0.590141D+00 -0.149365D+02
      4   0.112609D+02 -0.527976D+00  0.185310D+02 -0.160062D+02 -0.273080D+02
      5  -0.106560D+00  0.220314D+02  0.272559D+01 -0.283475D+02  0.477642D+01
      6  -0.445726D+01 -0.135669D+02 -0.811465D+01  0.146318D+02 -0.524296D+00
               106           107           108           109           110 
      1   0.201242D+02  0.197106D+01  0.392766D+02 -0.105032D+03 -0.152893D+02
      2  -0.871527D+01  0.154836D+02 -0.153759D+02  0.420573D+02  0.163441D+01
      3  -0.114089D+02 -0.174546D+02 -0.239007D+02  0.629749D+02  0.136549D+02
      4   0.318762D+01 -0.186347D+02  0.101087D+02 -0.282872D+02 -0.236102D+02
      5   0.144499D+02  0.160085D+02  0.148807D+02 -0.224218D+02 -0.793812D+01
      6  -0.773131D+01 -0.721659D+01 -0.164580D+02 -0.244861D+01 -0.304278D+01
               111           112           113           114           115 
      1  -0.145822D+02 -0.136899D+02 -0.859389D+01 -0.660149D+01  0.549782D+02
      2   0.400487D+01  0.237136D+01  0.706515D+01  0.164220D+01 -0.429964D+02
      3   0.105774D+02  0.113185D+02  0.152874D+01  0.495929D+01 -0.119818D+02
      4  -0.641683D+01  0.119881D+02 -0.970229D+01 -0.306547D+01 -0.369951D+01
      5  -0.901260D+01 -0.693297D+01 -0.386572D+01 -0.122672D+01  0.482691D+02
      6  -0.235085D+01 -0.517867D+01  0.272528D+00  0.375659D+01  0.929734D+01
               116           117           118           119           120 
      1   0.224186D+01  0.341120D+02  0.180890D+02  0.984880D+01 -0.692949D+01
      2  -0.332346D+01 -0.130105D+02 -0.133345D+02 -0.734238D+01  0.599634D+01
      3   0.108160D+01 -0.211016D+02 -0.475443D+01 -0.250642D+01  0.933148D+00
      4  -0.775436D+00  0.438868D+01  0.161442D+02  0.129679D+02 -0.601121D+01
      5   0.593840D+01  0.580878D+01 -0.176750D+02 -0.704534D+01  0.180333D+02
      6  -0.223577D+01 -0.941826D+00 -0.589754D+01 -0.324034D+01  0.322644D+01
               121           122           123           124           125 
      1   0.197574D+02  0.242801D+01 -0.194528D+01 -0.825746D+01 -0.101116D+01
      2  -0.130594D+02 -0.130518D+01  0.388121D+01  0.889605D+01  0.501723D+01
      3  -0.669807D+01 -0.112283D+01 -0.193593D+01 -0.638597D+00 -0.400608D+01
      4   0.156885D+02  0.194034D+02 -0.161357D+02 -0.812814D+01 -0.165786D+02
      5  -0.140312D+02 -0.167438D+02  0.146537D+02  0.258336D+02  0.135613D+02
      6  -0.531739D+01 -0.891364D+01  0.917447D+01  0.561384D+01  0.786557D+01
               126           127           128           129           130 
      1   0.237314D+01 -0.554628D+01 -0.104301D+02 -0.217689D+02 -0.552601D+00
      2  -0.110122D+02  0.886695D-02  0.634675D+01  0.438525D+01 -0.636934D-01
      3   0.863904D+01  0.553741D+01  0.408337D+01  0.173836D+02  0.616295D+00
      4   0.132679D+02  0.320148D+00 -0.535138D+01 -0.151163D+01  0.322019D+00
      5  -0.282031D+02 -0.474393D+01 -0.418525D+01 -0.103008D+02  0.974677D+00
      6  -0.834421D+01  0.378111D+01  0.626824D+01  0.115062D+02  0.137093D+01
               131           132           133           134           135 
      1  -0.104150D+02 -0.873437D+01 -0.115319D+02 -0.130782D+02 -0.403324D+02
      2   0.621147D+01  0.347744D+01  0.410582D+01  0.354021D+01 -0.157785D+01
      3   0.420357D+01  0.525694D+01  0.742610D+01  0.953802D+01  0.419103D+02
      4  -0.479368D+01 -0.425666D+01  0.709316D+01 -0.109208D+02 -0.123372D+02
      5  -0.411608D+01 -0.687525D+01  0.526715D+01 -0.161448D+02 -0.420554D+02
      6   0.715881D+01  0.120237D+02  0.446875D+00  0.157834D+02  0.301753D+02
               136           137           138           139           140 
      1   0.701226D+00 -0.934746D+01  0.109046D+01 -0.675109D+01 -0.168714D+02
      2   0.218825D+01  0.896049D+01 -0.312097D+01  0.222690D+01  0.309031D+02
      3  -0.288948D+01  0.386969D+00  0.203052D+01  0.452419D+01 -0.140317D+02
      4  -0.307361D+01 -0.342936D+01 -0.720299D+00  0.816102D+01 -0.279710D+02
      5   0.183248D+01  0.114238D+01 -0.452932D+01  0.179483D+01  0.119258D+02
      6  -0.148137D+01  0.518612D+00  0.331889D+01 -0.321162D-01 -0.353760D+01
               141           142           143           144           145 
      1   0.574490D+01  0.469234D+01  0.695137D+01 -0.102886D+02  0.972258D+02
      2  -0.130557D+02 -0.143977D+01 -0.166180D+02  0.108589D+02 -0.492624D+02
      3   0.731078D+01 -0.325257D+01  0.966664D+01 -0.570320D+00 -0.479635D+02
      4   0.983887D+01 -0.804644D+01  0.208306D+02 -0.891799D+01 -0.542070D+02
      5  -0.115278D+02 -0.161837D+01 -0.108230D+02  0.126606D+02 -0.403426D+02
      6   0.749005D+01  0.816294D+00  0.614064D+01 -0.641082D+01  0.112454D+02
               146           147           148           149           150 
      1  -0.196376D+02 -0.149755D+02 -0.960151D+01  0.844704D+01  0.110009D+01
      2   0.601682D+01  0.101051D+02  0.103892D+01 -0.136529D+01 -0.121869D+01
      3   0.136208D+02  0.487043D+01  0.856260D+01 -0.708175D+01  0.118597D+00
      4   0.252240D+02  0.110872D+02  0.174753D+02 -0.899239D+01 -0.896621D+00
      5   0.109963D+02  0.195932D+02  0.291944D+01 -0.235782D+01 -0.167535D+01
      6  -0.601067D+01 -0.605194D+01 -0.410037D+01  0.111995D+01  0.241566D+01
               151           152           153           154           155 
      1  -0.102266D+02  0.145953D+01  0.590290D+01  0.210990D+03  0.275475D+02
      2   0.803893D+01 -0.275087D+01 -0.543743D+01 -0.992680D+02 -0.989077D+01
      3   0.218764D+01  0.129134D+01 -0.465472D+00 -0.111722D+03 -0.176568D+02
      4   0.491807D+01 -0.427788D+00 -0.624354D+01  0.385324D+02  0.435756D+02
      5   0.171939D+02 -0.556365D+01 -0.102023D+02  0.438090D+02  0.898957D+01
      6  -0.457805D+01  0.320191D+01  0.379167D+01  0.747362D+00  0.492714D+01
               156           157           158           159           160 
      1   0.149778D+02  0.235657D+02  0.355367D+02  0.120639D+01  0.126986D+02
      2  -0.126305D+02 -0.628826D+01 -0.123082D+02 -0.821683D+00 -0.115766D+02
      3  -0.234734D+01 -0.172774D+02 -0.232285D+02 -0.384706D+00 -0.112194D+01
      4   0.690777D+01  0.514018D+02  0.263224D+02  0.594820D+01  0.545338D+01
      5   0.418815D+02  0.559788D+01  0.971164D+01  0.608332D+01  0.398883D+02
      6   0.154177D+01  0.102253D+02  0.374880D+01  0.557645D+01  0.224458D+01
               161           162           163           164           165 
      1   0.138669D+01  0.226514D+02  0.739036D+02  0.720315D+01  0.220615D+02
      2  -0.134510D+01 -0.154897D+02 -0.499058D+02 -0.288110D+01 -0.138051D+02
      3  -0.415876D-01 -0.716169D+01 -0.239978D+02 -0.432205D+01 -0.825638D+01
      4   0.284596D+01  0.604862D+01  0.884193D+01  0.652808D+01 -0.115113D+01
      5   0.678084D+01  0.121328D+02  0.444692D+02 -0.571509D+00  0.216338D+02
      6   0.453884D+01  0.199263D+01  0.410090D+01  0.864461D+00  0.557528D+00
               166           167           168           169           170 
      1   0.136522D+02 -0.106067D+02  0.127652D+00 -0.122802D+02 -0.347506D+01
      2  -0.818055D+01  0.301515D+01  0.239951D+00  0.386643D+01  0.205954D+01
      3  -0.547164D+01  0.759158D+01 -0.367603D+00  0.841379D+01  0.141552D+01
      4   0.239227D+01 -0.203504D+01  0.972015D+01 -0.302550D+01  0.473489D+01
      5   0.526027D+01  0.888836D+01 -0.506549D+00  0.920727D+01 -0.838039D+00
      6   0.264665D+01  0.387947D+00  0.116825D+02 -0.244151D+01  0.100878D+02
               171           172           173           174           175 
      1  -0.373166D+02 -0.599114D+02 -0.220792D+01  0.226301D+01 -0.877644D+01
      2  -0.950005D+01  0.382786D+02  0.131180D+01  0.880331D+01  0.672378D+01
      3   0.468166D+02  0.216328D+02  0.896126D+00 -0.110663D+02  0.205266D+01
      4  -0.206311D+01 -0.436875D+01 -0.405981D+01  0.645897D+00  0.322932D+00
      5   0.389351D+02 -0.321058D+02  0.105608D+01 -0.202354D+02 -0.355115D+01
      6  -0.847756D+00 -0.314039D+01 -0.309965D+01  0.205795D+00 -0.824350D+00
               176           177           178           179           180 
      1  -0.411898D+01  0.612786D+00 -0.189105D+02 -0.119927D+01 -0.114002D+02
      2   0.216553D+01  0.138894D+01  0.179348D+02  0.119858D+01  0.678887D+01
      3   0.195345D+01 -0.200173D+01  0.975731D+00  0.687882D-03  0.461134D+01
      4  -0.499076D+00  0.297855D+01 -0.197930D+01 -0.100290D+01 -0.829156D-01
      5   0.276928D+01 -0.297301D+01 -0.179103D+02  0.233386D+00 -0.640118D+01
      6  -0.109858D+01  0.304970D+01 -0.900190D+00  0.583008D+00 -0.116687D+01
               181           182           183           184           185 
      1  -0.567823D+01 -0.543169D+02  0.827422D+01  0.955495D+02  0.265627D+02
      2   0.591886D+01  0.379431D+02 -0.328674D+01 -0.656768D+02 -0.216532D+02
      3  -0.240628D+00  0.163739D+02 -0.498748D+01 -0.298727D+02 -0.490954D+01
      4  -0.185532D+02  0.462918D+02  0.357455D+01  0.252405D+02 -0.292433D+02
      5   0.124113D+02  0.441774D+01  0.158771D+02 -0.506496D+01  0.681656D+01
      6   0.595678D+01  0.143474D+01  0.118316D+02  0.418460D+01  0.458706D+01
               186           187           188           189           190 
      1  -0.934792D+01 -0.409845D+01  0.732362D+01  0.658512D+00  0.120015D+03
      2   0.783329D+01  0.749182D+01 -0.232291D+01 -0.889924D+01 -0.663229D+02
      3   0.151464D+01 -0.339337D+01 -0.500071D+01  0.824073D+01 -0.536919D+02
      4   0.363526D+01  0.705890D+01  0.239276D+01  0.176709D+02  0.120459D+02
      5   0.115751D+02  0.285107D+02  0.179551D+02 -0.833604D+01  0.115943D+01
      6   0.323984D+01  0.163338D+02  0.939119D+01 -0.393635D+01  0.256388D+01
               191           192           193           194           195 
      1   0.308096D+02 -0.103323D+02 -0.290743D+02 -0.205390D+02  0.785467D+01
      2  -0.191106D+02  0.245452D+01  0.277783D+02  0.247943D+02 -0.897745D+01
      3  -0.116990D+02  0.787782D+01  0.129600D+01 -0.425533D+01  0.112278D+01
      4   0.310142D+02 -0.428679D+01 -0.218836D+02  0.560219D+02 -0.323514D+01
      5  -0.572348D+01  0.693713D+01  0.834713D+01 -0.785771D+01 -0.182918D+01
      6   0.311968D+01 -0.450031D+01  0.100859D+01 -0.345218D+01 -0.515305D+01
               196           197           198           199           200 
      1   0.226066D+01  0.233639D+01  0.273382D+02 -0.111951D+03 -0.144647D+02
      2  -0.133582D+01 -0.229295D+01 -0.242428D+02  0.497943D+02  0.808633D+01
      3  -0.924840D+00 -0.434414D-01 -0.309545D+01  0.621568D+02  0.637838D+01
      4   0.663664D+01 -0.854965D+01  0.870394D+00 -0.201862D+02 -0.308335D+02
      5   0.563035D+02  0.668901D+01 -0.682827D+01  0.146763D+02  0.226077D+01
      6  -0.127624D+01  0.425174D+01  0.343308D+01 -0.263562D+01  0.155081D+01
               201           202           203           204           205 
      1   0.978378D+01 -0.835703D+02 -0.956571D+01  0.523403D+01  0.207703D+02
      2  -0.488683D+01  0.539784D+02 -0.849341D+01 -0.150655D+01 -0.126689D+02
      3  -0.489695D+01  0.295919D+02  0.180591D+02 -0.372748D+01 -0.810140D+01
      4   0.186435D+01 -0.608208D+01 -0.196386D+02 -0.102227D+01 -0.147659D-01
      5   0.398357D+01  0.591505D+01  0.709442D+00 -0.125343D+02  0.466893D+01
      6   0.107255D+00 -0.405317D+01  0.429491D+01  0.722534D+01 -0.425846D+01
               206           207           208           209           210 
      1  -0.360457D+01 -0.191467D+02  0.948442D+01 -0.328485D+02  0.666975D+01
      2   0.575894D+01  0.264777D+01 -0.600496D+01  0.184543D+02  0.853258D+00
      3  -0.215436D+01  0.164990D+02 -0.347947D+01  0.143942D+02 -0.752301D+01
      4   0.189769D+01 -0.260427D+02 -0.288900D+02  0.650891D+01  0.520729D+01
      5  -0.277376D+02  0.101567D+02 -0.547729D+00  0.507600D+01  0.259151D+02
      6   0.164559D+02 -0.404272D+00  0.930198D+00 -0.285298D+01  0.431937D+01
               211           212           213           214           215 
      1   0.799782D+01  0.169979D+02  0.518948D+00 -0.305449D+00  0.103571D+01
      2  -0.949255D+01 -0.653908D+01  0.279706D+01  0.113749D+01 -0.197590D+00
      3   0.149473D+01 -0.104588D+02 -0.331601D+01 -0.832040D+00 -0.838117D+00
      4   0.452666D+02 -0.146681D+02 -0.131449D+01 -0.201435D+01 -0.903437D-01
      5  -0.146809D+01  0.123634D+01  0.129193D+02  0.638179D+01 -0.659560D+01
      6  -0.116410D+01  0.220147D+01  0.840726D+01 -0.378376D+01  0.409550D+01
               216           217           218           219           220 
      1  -0.992153D+00 -0.504429D+02  0.536258D+02 -0.237228D+01  0.419957D+02
      2   0.133864D+01  0.284795D+02 -0.289496D+02 -0.444115D+00 -0.190955D+02
      3  -0.346488D+00  0.219634D+02 -0.246762D+02  0.281639D+01 -0.229002D+02
      4  -0.753139D+01  0.535625D+02 -0.749495D+00 -0.143888D+02 -0.429380D+02
      5  -0.396794D+01 -0.186751D+01 -0.151481D+02 -0.863402D+01 -0.152289D+02
      6  -0.144972D+01 -0.633053D+01 -0.863737D+00 -0.109614D+01 -0.125196D+01
               221           222           223           224           225 
      1  -0.154816D+02 -0.207842D+02 -0.667998D+01 -0.175216D+02 -0.233766D+01
      2   0.743703D+01  0.872502D+00 -0.278849D+01  0.226830D+01  0.423334D+01
      3   0.804455D+01  0.199117D+02  0.946847D+01  0.152533D+02 -0.189568D+01
      4  -0.252856D+02 -0.994203D+01 -0.143775D+02 -0.110288D+02 -0.520950D+02
      5  -0.112019D+02 -0.782656D+02 -0.336428D+02 -0.540883D+02  0.248405D+02
      6  -0.136753D+01 -0.161267D+02 -0.132525D+02 -0.125602D+02  0.843987D+01
               226           227           228           229           230 
      1  -0.487817D+01  0.148047D+02 -0.492662D+00  0.465027D+01 -0.513774D+02
      2   0.621692D+01 -0.146185D+02  0.574067D+00 -0.401825D+01  0.638855D+02
      3  -0.133875D+01 -0.186190D+00 -0.814044D-01 -0.632025D+00 -0.125081D+02
      4   0.175220D+01  0.477327D+01 -0.844092D+00  0.269154D+01  0.197866D+02
      5   0.199529D+00 -0.117712D+01  0.142149D+01 -0.194681D+00  0.111020D+01
      6  -0.262924D+00 -0.322778D+00 -0.127423D+01  0.313831D+00 -0.326322D+01
               231           232           233           234           235 
      1   0.412028D+01  0.366996D+00  0.317781D+01 -0.163066D+01  0.410845D+02
      2  -0.416568D+01 -0.281544D+00 -0.430187D+01  0.213362D+01 -0.152106D+02
      3   0.454061D-01 -0.854515D-01  0.112406D+01 -0.502964D+00 -0.258738D+02
      4  -0.138632D+01 -0.620338D+00 -0.264489D+01 -0.145641D+01  0.336430D+02
      5   0.147914D+01  0.176923D+01 -0.992238D+00 -0.148352D+00 -0.819457D+01
      6   0.680419D+01 -0.332946D+00  0.254538D+01 -0.731341D+00 -0.327272D+01
               236           237           238           239           240 
      1   0.138629D+02 -0.561087D+01  0.172555D+02  0.763474D+01 -0.199740D+01
      2  -0.818219D+00  0.219164D+01  0.283532D+01  0.110377D+02 -0.615629D+00
      3  -0.130447D+02  0.341924D+01 -0.200908D+02 -0.186725D+02  0.261303D+01
      4   0.258837D+02 -0.558425D+01  0.392888D+02  0.408838D+02 -0.729961D+01
      5  -0.406633D+01  0.416273D+01 -0.628585D+01 -0.493146D+01  0.545253D+01
      6  -0.252935D+01  0.202321D+01 -0.423103D+01 -0.468208D+01  0.471550D+01
               241           242           243           244           245 
      1  -0.741514D+01 -0.247373D+01 -0.559506D+00  0.782259D+00 -0.633339D+01
      2   0.163390D+01 -0.705385D+00  0.123001D+01  0.511952D+01 -0.254547D+01
      3   0.578123D+01  0.317912D+01 -0.670506D+00 -0.590178D+01  0.887886D+01
      4  -0.841612D+01 -0.705290D+01  0.279742D+01 -0.204526D+02  0.221600D+02
      5  -0.830585D+00  0.162905D+01 -0.102790D+01  0.258816D+01 -0.142471D+01
      6  -0.589684D+00  0.179403D+01 -0.924710D+00 -0.812448D+00  0.691159D-01
               246           247           248           249           250 
      1   0.995252D+00 -0.273269D+01 -0.158233D+02  0.114469D+01  0.556635D+00
      2  -0.456495D+00 -0.979304D+01  0.341796D+02 -0.972557D+00  0.175965D+00
      3  -0.538757D+00  0.125257D+02 -0.183563D+02 -0.172130D+00 -0.732600D+00
      4  -0.315253D+00  0.300029D+02 -0.558557D+02  0.316491D+01 -0.949744D+00
      5   0.290606D+01 -0.302212D+01  0.649603D+01 -0.580498D+01  0.187675D+01
      6  -0.169774D+01  0.177141D+01 -0.336879D+01  0.623392D+01 -0.228776D+01
               251           252           253           254           255 
      1   0.235887D+01 -0.155459D+01  0.689164D+00  0.153925D+01 -0.130349D+02
      2  -0.254087D+01  0.270998D+01 -0.153550D+01 -0.638894D+00  0.486576D+01
      3   0.181996D+00 -0.115539D+01  0.846338D+00 -0.900361D+00  0.816913D+01
      4   0.350593D+01 -0.139878D+01 -0.385497D+00 -0.638240D+00 -0.158663D+01
      5  -0.541520D+00  0.169519D+00 -0.102571D+02 -0.960465D+00 -0.113857D+01
      6   0.283485D+01 -0.910218D+00 -0.174567D+01  0.395211D+00 -0.130415D+01
               256           257           258           259           260 
      1   0.123775D+02  0.372563D+01 -0.140057D+01 -0.358416D+02 -0.111375D+01
      2  -0.781019D+01 -0.142405D+01  0.336140D+01  0.258893D+02  0.395713D+01
      3  -0.456727D+01 -0.230158D+01 -0.196083D+01  0.995233D+01 -0.284338D+01
      4   0.230920D+02  0.250667D+02 -0.219041D+02 -0.172188D+02 -0.211266D+02
      5  -0.170474D+02 -0.214127D+02  0.364870D+02  0.461986D+02  0.333544D+02
      6  -0.615266D+01 -0.881028D+01  0.125147D+02  0.105425D+02  0.117874D+02
               261           262           263           264           265 
      1   0.558242D+01  0.203056D+02  0.828681D+01  0.136126D+02  0.318604D+02
      2  -0.182534D+02 -0.884738D+01 -0.292971D+01 -0.662945D+01 -0.123840D+02
      3   0.126710D+02 -0.114582D+02 -0.535710D+01 -0.698313D+01 -0.194765D+02
      4   0.322424D+02  0.102596D+02  0.777197D+01  0.804040D+01  0.399887D+02
      5  -0.725337D+02  0.169127D+02  0.770743D+01  0.373656D+01  0.227170D+02
      6  -0.158999D+02  0.338367D+01  0.946240D+00 -0.251228D+00  0.605325D+01
               266           267           268           269           270 
      1   0.169913D+02  0.114305D+02  0.493866D+02  0.142732D+02  0.129933D+02
      2  -0.103475D+01 -0.153724D+01 -0.240981D+02 -0.400878D+01 -0.877896D+01
      3  -0.159566D+02 -0.989328D+01 -0.252884D+02 -0.102644D+02 -0.421430D+01
      4   0.430518D+02  0.254198D+02  0.292487D+02  0.300535D+02  0.307109D+02
      5   0.268399D+02  0.328458D+02  0.375748D+02  0.327089D+02  0.426921D+02
      6   0.704911D+01  0.838738D+01  0.956533D+01  0.903122D+01  0.842889D+01
               271           272           273           274           275 
      1   0.188406D+03 -0.346631D+02 -0.123182D+02 -0.769833D+02  0.271260D+02
      2  -0.986336D+02  0.183493D+02  0.761761D+01  0.398942D+02 -0.128068D+02
      3  -0.897722D+02  0.163138D+02  0.470064D+01  0.370891D+02 -0.143192D+02
      4  -0.393275D+02  0.202139D+02  0.396138D+01  0.349936D+02 -0.229944D+02
      5  -0.168902D+02  0.420411D+01  0.173161D+02  0.844044D+01 -0.183524D+01
      6   0.352569D+01 -0.156163D+01 -0.707235D+00 -0.283377D+01  0.201872D+01
               276           277           278           279 
      1   0.629222D+01 -0.755543D+01  0.298089D+01  0.162069D+02
      2  -0.353919D+01  0.567421D+01 -0.130309D+01 -0.983238D+01
      3  -0.275303D+01  0.188122D+01 -0.167780D+01 -0.637456D+01
      4  -0.183672D+01  0.346711D+01  0.343633D+00 -0.564069D+00
      5  -0.628917D+01  0.247341D+02 -0.429935D+00 -0.595073D+01
      6   0.210060D+01 -0.123476D+01  0.269001D+01  0.280809D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207643D+03      0.307695D+02      0.342357D+02
   aniso      0.184611D+03      0.273565D+02      0.304383D+02
   xx         0.323267D+03      0.479032D+02      0.532995D+02
   yx         0.153636D+02      0.227665D+01      0.253312D+01
   yy         0.178039D+03      0.263826D+02      0.293546D+02
   zx        -0.164458D+02     -0.243702D+01     -0.271155D+01
   zy        -0.562464D+01     -0.833486D+00     -0.927378D+00
   zz         0.121624D+03      0.180228D+02      0.200531D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.207643D+03      0.307695D+02      0.342357D+02
   aniso      0.184611D+03      0.273565D+02      0.304383D+02
   xx         0.154222D+03      0.228534D+02      0.254278D+02
   yx         0.192348D+02      0.285030D+01      0.317139D+01
   yy         0.174383D+03      0.258408D+02      0.287518D+02
   zx        -0.719714D+02     -0.106651D+02     -0.118665D+02
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 It is also a good rule not to put too much confidence in
 experimental results until they have been confirmed by
 Theory.
                             -- Sir Arthur Eddington
 Job cpu time:       0 days 12 hours 54 minutes  5.5 seconds.
 Elapsed time:       0 days  1 hours 37 minutes  0.6 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:34:09 2021.
